CID int64 1 171M | Title stringlengths 2 898 | MolecularFormula stringlengths 1 40 | IUPACName stringlengths 3 2.71k ⌀ | InChI stringlengths 10 3.8k | SMILES stringlengths 1 1.71k | Synonyms stringlengths 2 228k |
|---|---|---|---|---|---|---|
101 | 3-Hydroxybenzaldehyde | C7H6O2 | 3-hydroxybenzaldehyde | InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H | C1=CC(=CC(=C1)O)C=O | ['3-hydroxybenzaldehyde', 'm-Hydroxybenzaldehyde', 'Benzaldehyde, 3-hydroxy-', 'm-Formylphenol', '3-Formylphenol', 'meta-Hydroxybenzaldehyde', 'Benzaldehyde, m-hydroxy-', '3-HYDROXY-BENZALDEHYDE', '3-Hydroxybenzaldehyd', '3-oxidanylbenzaldehyde', 'm-hydroxy benzaldehyde', '3-hydroxy benzaldehyde', 'mFormylphenol', '3Fo... |
102 | 3-Hydroxybenzyl alcohol | C7H8O2 | 3-(hydroxymethyl)phenol | InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2 | C1=CC(=CC(=C1)O)CO | ['3-hydroxybenzyl alcohol', '3-(Hydroxymethyl)phenol', 'Benzenemethanol, 3-hydroxy-', '3-Hydroxybenzenemethanol', 'm-Hydroxybenzyl alcohol', 'Benzyl alcohol, m-hydroxy-', '3-Hydroxybenzylalcohol', '3-Hydroxymethyl-phenol', '3-(hydroxymethyl)-phenol', '3-hydroxymethylphenol', '3-hydroxymethyl phenol', '3-(Hydroxymethy)p... |
103 | 3-oxo-cholyl-CoA; (Acyl-CoA); [M+H]+ | C45H72N7O20P3S | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanethioate | InChI=1S/C45H72N7O20P3S/c1-23(26-7-8-27-34-28(18-31(55)45(26,27)5)44(4)12-10-25(53)16-24(44)17-29(34)54)6-9-33(57)76-15-14-47-32(56)11-13-48-41(60)38(59)43(2,3)20-69-75(66,67)72-74(64,65)68-19-30-37(71-73(61,62)63)36(58)42(70-30)52-22-51-35-39(46)49-21-50-40(35)52/h21-24,26-31,34,36-38,42,54-55,58-59H,6-20H2,1-5H3,(H,4... | CC(CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C4CCC5C4(C(CC6C5C(CC7C6(CCC(=O)C7)C)O)O)C | ['3-oxo-cholyl-CoA; (Acyl-CoA); [M+H]+;'] |
104 | 5-Oxo-4,5-dihydro-2-furylacetic acid | C6H6O4 | 2-(2-oxo-3H-furan-5-yl)acetic acid | InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1H,2-3H2,(H,7,8) | C1C=C(OC1=O)CC(=O)O | ['5-oxo-4,5-dihydro-2-furylacetic acid', '3-Oxoadipate enol-lactone', '2-(2-oxo-3H-furan-5-yl)acetic acid', '(5-oxo-4,5-dihydrofuran-2-yl)acetic acid', '2-oxo-2,3-dihydrofuran-5-acetate', '4,5-dihydro-5-oxofuran-2-acetate', '5-oxo-4,5-dihydrofuran-2-acetate', '4-carboxymethylbut-3-en-4-olide'] |
105 | Phosphohydroxypyruvic acid | C3H5O7P | 2-oxo-3-phosphonooxypropanoic acid | InChI=1S/C3H5O7P/c4-2(3(5)6)1-10-11(7,8)9/h1H2,(H,5,6)(H2,7,8,9) | C(C(=O)C(=O)O)OP(=O)(O)O | ['Phosphohydroxypyruvic acid', '2-oxo-3-(phosphonooxy)propanoic acid', '3-Phosphonooxypyruvic acid', '3-phosphonooxypyruvate', '2-oxo-3-phosphonooxypropanoic acid', 'Propanoic acid, 2-oxo-3-(phosphonooxy)-', '3-Phosphohydroxypyruvic acid', 'Hydroxypyruvic acid phosphate', '3-phosphohydroxypyruvate', 'Hydroxypyruvic Aci... |
106 | O-Phospho-DL-serine | C3H8NO6P | 2-amino-3-phosphonooxypropanoic acid | InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) | C(C(C(=O)O)N)OP(=O)(O)O | ['dl-O-Phosphoserine', 'O-Phospho-DL-serine', 'DL-Serine dihydrogen phosphate', 'Serophen', 'serine phosphate', 'Energoserina', 'o-Phosphonoserine', 'phosphorylserine', 'serine, O-phosphono-', 'DL-O-Phosphorylserine', 'DL-Serine monophosphoric acid', 'P-serine', 'DL-Phosphoserine', '2-amino-3-phosphonooxypropanoic acid... |
107 | 3-Phenylpropionic acid | C9H10O2 | 3-phenylpropanoic acid | InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) | C1=CC=C(C=C1)CCC(=O)O | ['hydrocinnamic acid', '3-phenylpropionic acid', '3-Phenylpropanoic acid', 'Benzenepropanoic acid', 'Benzylacetic acid', 'Dihydrocinnamic acid', 'Benzenepropionic acid', '3-Phenyl propionic acid', 'Phenylpropanoic acid', '3-Phenyl-propionic acid', 'Phenylpropanoate', 'BETA-PHENYLPROPIONIC ACID', 'Phenylpropionic acid',... |
108 | 3-Pyridineacetic acid | C7H7NO2 | 2-pyridin-3-ylacetic acid | InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10) | C1=CC(=CN=C1)CC(=O)O | ['3-pyridineacetic acid', '3-pyridylacetic acid', '2-(pyridin-3-yl)acetic acid', 'lioxone', 'minedil', 'piridil', 'Piristerol', 'lessterol', 'toneon', '2-(3-pyridyl)acetic acid', 'coletin', '2-pyridin-3-ylacetic acid', 'homonicotinic acid', 'pyridine-3-acetic acid', 'pyridin-3-ylacetic acid', '(pyridin-3-yl)acetic acid... |
109 | 3-Sulfinoalanine | C3H7NO4S | 2-amino-3-sulfinopropanoic acid | InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8) | C(C(C(=O)O)N)S(=O)O | ['Cysteine sulfinic acid', '3-sulfinoalanine', '2-amino-3-sulfinopropanoic acid', 'Alanine, 3-sulfino-', 'UZY4HYK4ZX', 'Sulfino-DL-alanine', 'L-Cysteine sulfinic acid', 'Cysteinesulfinic acid', 'ALANINESULFINIC ACID', 'CYSTEINESULFINATE, DL-', 'CYSTEINESULFINIC ACID, (DL)-', 'CYSTEINESULFINIC ACID, (+/-)-', 'Cysteine h... |
110 | 3-Sulfinylpyruvic acid | C3H4O5S | 2-oxo-3-sulfinopropanoic acid | InChI=1S/C3H4O5S/c4-2(3(5)6)1-9(7)8/h1H2,(H,5,6)(H,7,8) | C(C(=O)C(=O)O)S(=O)O | ['3-sulfinylpyruvic acid', '2-oxo-3-sulfinopropanoic acid', '3-Sulfinopyruvate', '3-Sulfinylpyruvate', '3-sulfinyl-pyruvate', '3-sulphinyl-pyruvate', 'b-sulfinyl pyruvate', '2-oxo-3-sulfinopropionic acid'] |
111 | 3-Ureidopropionic acid | C4H8N2O3 | 3-(carbamoylamino)propanoic acid | InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9) | C(CNC(=O)N)C(=O)O | ['3-Ureidopropionic acid', '3-(carbamoylamino)propanoic acid', 'N-Carbamoyl-beta-alanine', 'ureidopropionic acid', '3-ureidopropionate', '3-ureidopropanoic acid', 'Carbamoyl-beta-Ala-OH', 'beta-Ureidopropionic acid', '3-Ureidopropanoate', 'N-(aminocarbonyl)-beta-alanine', 'Ureidopropionate', 'Carbamoyl-|A-Ala-OH', '3-[... |
112 | 3-Hydroxy-2-oxo-4-phosphonooxybutanoate | C4H6O8P- | 3-hydroxy-2-oxo-4-phosphonooxybutanoate | InChI=1S/C4H7O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2,5H,1H2,(H,7,8)(H2,9,10,11)/p-1 | C(C(C(=O)C(=O)[O-])O)OP(=O)(O)O | [] |
113 | 3-Hydroxy-2-oxo-4-phosphonooxybutanoic acid | C4H7O8P | 3-hydroxy-2-oxo-4-phosphonooxybutanoic acid | InChI=1S/C4H7O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2,5H,1H2,(H,7,8)(H2,9,10,11) | C(C(C(=O)C(=O)O)O)OP(=O)(O)O | [] |
114 | 3-Pyridinebutanoic acid | C9H11NO2 | 4-pyridin-3-ylbutanoic acid | InChI=1S/C9H11NO2/c11-9(12)5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5H2,(H,11,12) | C1=CC(=CN=C1)CCCC(=O)O | ['3-pyridinebutanoic acid', '4-(pyridin-3-yl)butanoic acid', '4-pyridin-3-ylbutanoic acid', '3-Pyridinebutanoate', '4-Pyridin-3-ylbutanoate', '4-3-Pyridyl-butanoic acid', '4-(3-pyridyl)-butanoic acid', '4-3-PYRIDYL-BUTANOATE', '4-(3-pyridyl)-butanoate', '4-pyridin-3-yl-butyric acid', '3-pyridine butanoic acid', '4-(Pyr... |
115 | (5-Amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate | C5H12NO7P | (5-amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate | InChI=1S/C5H12NO7P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11) | C1C(C(C(C(O1)OP(=O)(O)O)O)O)N | [] |
116 | (3R,4R)-4-amino-3-[(1-carboxyeth-1-en-1-yl)oxy]cyclohexa-1,5-diene-1-carboxylic acid | C10H11NO5 | 4-amino-3-(1-carboxyethenoxy)cyclohexa-1,5-diene-1-carboxylic acid | InChI=1S/C10H11NO5/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8H,1,11H2,(H,12,13)(H,14,15) | C=C(C(=O)O)OC1C=C(C=CC1N)C(=O)O | ['(3R,4R)-4-amino-3-[(1-carboxyeth-1-en-1-yl)oxy]cyclohexa-1,5-diene-1-carboxylic acid'] |
117 | 5-amino-1H-imidazole-4-carboxylic acid | C4H5N3O2 | 4-amino-1H-imidazole-5-carboxylic acid | InChI=1S/C4H5N3O2/c5-3-2(4(8)9)6-1-7-3/h1H,5H2,(H,6,7)(H,8,9) | C1=NC(=C(N1)C(=O)O)N | ['5-amino-1H-imidazole-4-carboxylic acid', '4-amino-1H-imidazole-5-carboxylic acid', '5-aminoimidazole-4-carboxylic acid', '5-amino-4-imidazole carboxylate', '4-Amino-5-imidazolecarboxylic acid', '5-AMINO-1H-IMIDAZOLE-4-CARBOXYLICACID', '4-aminoimidazole-5-carboxylate', '5-aminoimidazole-4-carboxylate', '4-amino-imidaz... |
118 | 4-Aminobutanal | C4H9NO | 4-aminobutanal | InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2 | C(CC=O)CN | ['4-aminobutanal', '4-aminobutyraldehyde', 'Butanal, 4-amino-', 'gamma-aminobutyraldehyde', '4-amino-butyraldehyde', 'Butyraldehyde, 4-amino-', '4-amino-butanal', '4-Azanylbutanal', 'VTX8N8R7G2', 'Butanal, 4-amino- (9CI)', 'DZQLQEYLEYWJIB-UHFFFAOYSA-N', 'Butyraldehyde, 4-amino- (6CI,7CI,8CI)'] |
119 | Gamma-Aminobutyric Acid | C4H9NO2 | 4-aminobutanoic acid | InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) | C(CC(=O)O)CN | ['4-aminobutyric acid', '4-Aminobutanoic acid', 'gamma-aminobutyric acid', 'GABA', 'Piperidic acid', 'Piperidinic acid', 'Aminalon', 'Gaballon', 'butanoic acid, 4-amino-', 'Gammalon', 'Gammalone', 'Gammasol', 'Mielogen', 'Mielomade', 'Gamarex', 'Gammar', 'Reanal', 'Butyric acid, 4-amino-', 'gamma-amino-n-butyric acid',... |
120 | 4-Carboxymethylenebut-2-en-4-olide | C6H4O4 | 2-(5-oxofuran-2-ylidene)acetic acid | InChI=1S/C6H4O4/c7-5(8)3-4-1-2-6(9)10-4/h1-3H,(H,7,8) | C1=CC(=O)OC1=CC(=O)O | ['2-(5-oxofuran-2-ylidene)acetic acid', '4-carboxymethylenebut-2-en-4-olide', '2-(5-Oxo-2(5H)-furanylidene)acetic acid'] |
121 | 4-Diphosphocytidyl-2-C-methyl-D-erythritol (CDP-ME) | C14H25N3O14P2 | [[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2,3,4-trihydroxy-3-methylbutyl) hydrogen phosphate | InChI=1S/C14H25N3O14P2/c1-14(23,6-18)8(19)5-29-33(26,27)31-32(24,25)28-4-7-10(20)11(21)12(30-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21,23H,4-6H2,1H3,(H,24,25)(H,26,27)(H2,15,16,22) | CC(CO)(C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O)O | ['4-Diphosphocytidyl-2-C-methyl-D-erythritol (CDP-ME)'] |
122 | 4,6-Dioxooct-2-enedioic acid | C8H8O6 | 4,6-dioxooct-2-enedioic acid | InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14) | C(C(=O)CC(=O)O)C(=O)C=CC(=O)O | ['4,6-dioxooct-2-enedioic acid', '(2Z)4,6-DIOXOOCT-2-ENEDIOIC ACID'] |
123 | Tiformin | C5H12N4O | 4-(diaminomethylideneamino)butanamide | InChI=1S/C5H12N4O/c6-4(10)2-1-3-9-5(7)8/h1-3H2,(H2,6,10)(H4,7,8,9) | C(CC(=O)N)CN=C(N)N | ['Tiformin', '4-Guanidinobutanamide', '4-guanidinobutyramide', '4-carbamimidamidobutanamide', 'Tiformina', 'Tiformine', 'Tiforminum', '4-(diaminomethylideneamino)butanamide', 'Tiformin [INN]', 'TYFORMIN', 'Tiformin [INN:BAN]', 'FZN0LJN8CC', 'UNII-FZN0LJN8CC', 'Tiformine [INN-French]', 'Tiforminum [INN-Latin]', 'Tiformi... |
124 | 4-Hydroxy-2-oxopentanoic acid | C5H8O4 | 4-hydroxy-2-oxopentanoic acid | InChI=1S/C5H8O4/c1-3(6)2-4(7)5(8)9/h3,6H,2H2,1H3,(H,8,9) | CC(CC(=O)C(=O)O)O | ['4-Hydroxy-2-oxopentanoic acid', '4-Hydroxy-2-oxovalerate', 'Q7M6F8F7B9', '4-hydroxy-2-oxovaleric acid', 'UNII-Q7M6F8F7B9', 'Pentanoic acid, 4-hydroxy-2-oxo-', 'VALERIC ACID, 4-HYDROXY-2-OXO-', '4-Hydroxy-2-oxovaleric Acid Potassium Salt'] |
125 | 4-Hydroxybenzyl alcohol | C7H8O2 | 4-(hydroxymethyl)phenol | InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2 | C1=CC(=CC=C1CO)O | ['4-hydroxybenzyl alcohol', '4-(Hydroxymethyl)phenol', 'p-Hydroxybenzyl alcohol', 'p-Methylolphenol', '4-Hydroxybenzenemethanol', '4-Methylolphenol', 'Benzenemethanol, 4-hydroxy-', '4-Hydroxybenzylalcohol', 'p-(Hydroxymethyl)phenol', 'Benzyl alcohol, p-hydroxy-', 'Gastrodigenin', 'alpha-Hydroxy-p-cresol', 'Parahydroxyb... |
126 | 4-Hydroxybenzaldehyde | C7H6O2 | 4-hydroxybenzaldehyde | InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H | C1=CC(=CC=C1C=O)O | ['4-hydroxybenzaldehyde', 'p-Hydroxybenzaldehyde', '4-Formylphenol', 'Benzaldehyde, 4-hydroxy-', 'p-Formylphenol', 'p-Oxybenzaldehyde', 'Parahydroxybenzaldehyde', '4-HYDROXY-BENZALDEHYDE', '4-Hydroxy benzaldehyde', 'Benzaldehyde, p-hydroxy-', 'USAF M-6', '4-formyl phenol', 'Para-Hydroxybenzaldehyde', '4-Hydroxybenzenec... |
127 | 4-Hydroxyphenylacetic acid | C8H8O3 | 2-(4-hydroxyphenyl)acetic acid | InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) | C1=CC(=CC=C1CC(=O)O)O | ['4-hydroxyphenylacetic acid', '2-(4-hydroxyphenyl)acetic acid', 'p-hydroxyphenylacetic acid', '(4-Hydroxyphenyl)acetic acid', 'benzeneacetic acid, 4-hydroxy-', '4-Hydroxybenzeneacetic acid', '4-hydroxyphenylacetate', '(p-Hydroxyphenyl)acetic acid', 'Parahydroxy phenylacetic acid', '4-Carboxymethylphenol', 'Acetic acid... |
128 | 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid | C6H8N2O3 | 3-(5-oxo-1,4-dihydroimidazol-4-yl)propanoic acid | InChI=1S/C6H8N2O3/c9-5(10)2-1-4-6(11)8-3-7-4/h3-4H,1-2H2,(H,9,10)(H,7,8,11) | C1=NC(C(=O)N1)CCC(=O)O | ['Imidazol-4-one-5-propionic acid', '3-(5-oxo-1,4-dihydroimidazol-4-yl)propanoic acid', '4-imidazolone-5-propanoate', '3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid', '4-imidazolone-5-propionic acid', 'imidazolonepropanoate', '1h-imidazole-4-propanoic acid, 4,5-dihydro-5-oxo-', '4,5-dihydro-4-oxo-5-imidazoleprop... |
129 | 4-Methylpentanal | C6H12O | 4-methylpentanal | InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3 | CC(C)CCC=O | ['4-methylpentanal', '4-Methylvaleraldehyde', 'isocaproaldehyde', 'Pentanal, 4-methyl-', 'isohexanal', '4-Methyl valeraldehyde', 'Valeraldehyde, 4-methyl-', '4-Methyl-1-pentanal', '4-Methylpentan-1-one', '4-METHYLPENTALDEHYDE', 'isohexana', '4-methyl-pentanal', '4-methyl-Valeraldehyde', '.GAMMA.-METHYLVALERALDEHYDE', '... |
130 | 2-Hydroxy-4-oxobutane-1,2,4-tricarboxylic acid | C7H8O8 | 2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid | InChI=1S/C7H8O8/c8-3(5(11)12)1-7(15,6(13)14)2-4(9)10/h15H,1-2H2,(H,9,10)(H,11,12)(H,13,14) | C(C(=O)C(=O)O)C(CC(=O)O)(C(=O)O)O | ['2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid', '4-carboxy-4-hydroxy-2-oxoadipic acid', '4-carboxy-4-hydroxy-2-oxoadipate', '4-hydroxy-4-carboxymethyl-2-oxoglutaric acid', '2-oxo-4-hydroxy-4-carboxy-adipic acid'] |
131 | 3-[(2-Hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino]propanoic acid | C9H18NO8P | 3-[(2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino]propanoic acid | InChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17) | CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)O)O | ['3-[(2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino]propanoic acid', '3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoicacid'] |
132 | 2-[3-[(2-Hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino]propanoylamino]-3-sulfanylpropanoic acid | C12H23N2O9PS | 2-[3-[(2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino]propanoylamino]-3-sulfanylpropanoic acid | InChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22) | CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NC(CS)C(=O)O)O | [] |
133 | 4-Trimethylammoniobutanal | C7H16NO+ | trimethyl(4-oxobutyl)azanium | InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1 | C[N+](C)(C)CCCC=O | ['4-TRIMETHYLAMMONIOBUTANAL', 'gamma-Trimethylaminobutyraldehyde', 'trimethyl(4-oxobutyl)azanium', 'Trimethylaminobutyraldehyde', 'trimethyl-(4-oxobutyl)ammonium', 'N,N,N-trimethyl-4-oxobutan-1-aminium', 'N,N,N-trimethyl-4-oxo-1-Butanaminium', '1-Butanaminium, N,N,N-trimethyl-4-oxo-', 'trimethyl-(4-oxobutyl)azanium', '... |
134 | 4-Trimethylammoniobutanoate | C7H16NO2+ | 3-carboxypropyl(trimethyl)azanium | InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1 | C[N+](C)(C)CCCC(=O)O | ['4-TRIMETHYLAMMONIOBUTANOATE', '3-carboxy-N,N,N-trimethylpropan-1-aminium', '3-carboxypropyl(trimethyl)azanium', '1-Propanaminium, 3-carboxy-N,N,N-trimethyl-', '(3-carboxypropyl)trimethylazanium', '4-(trimethylammonio)butanoic acid', 'Deoxycarnitine hydrochloride', '3-carboxypropyl-trimethyl-ammonium', 'NM2', '4c5w', ... |
135 | 4-Hydroxybenzoic acid | C7H6O3 | 4-hydroxybenzoic acid | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) | C1=CC(=CC=C1C(=O)O)O | ['4-HYDROXYBENZOIC ACID', 'p-Hydroxybenzoic acid', '4-Carboxyphenol', 'p-Salicylic acid', 'Benzoic acid, 4-hydroxy-', 'Benzoic acid, p-hydroxy-', 'p-carboxyphenol', 'para-Hydroxybenzoic acid', 'Paraben-acid', '4-Hydroxybenzoesaeure', 'p-Oxybenzoesaure', 'Kyselina 4-hydroxybenzoova', 'p-Oxybenzoesaure [German]', 'parahy... |
136 | CID 136 | C20H22N7O6+ | 2-[[4-(3-amino-1-oxo-5,6,6a,7-tetrahydro-4H-imidazo[1,5-f]pteridin-10-ium-8-yl)benzoyl]amino]pentanedioic acid | InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/p+1 | C1C2CN(C=[N+]2C3=C(N1)NC(=NC3=O)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O | [] |
137 | Aminolevulinic Acid | C5H9NO3 | 5-amino-4-oxopentanoic acid | InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9) | C(CC(=O)O)C(=O)CN | ['5-Aminolevulinic acid', 'Aminolevulinic acid', '5-Amino-4-oxopentanoic acid', '5-Aminolevulinate', 'Pentanoic acid, 5-amino-4-oxo-', 'delta-aminolevulinic acid', 'Aladerm', '5-Amino-4-oxovaleric acid', '5-ALA', 'Aminolevulinate', 'Kerastick', 'delta-ALA', '5-amino-4-oxo-pentanoic acid', '5-Aminolaevulinic acid', '5-a... |
138 | 5-Aminovaleric acid | C5H11NO2 | 5-aminopentanoic acid | InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) | C(CCN)CC(=O)O | ['5-Aminovaleric acid', '5-Aminopentanoic acid', 'Homopiperidinic acid', 'Pentanoic acid, 5-amino-', 'H-5-Ava-OH', '5-amino-pentanoic acid', 'Valeric acid, 5-amino-', 'delta-Amino-n-valeric acid', 'delta-Aminovaleric acid', '5-aminopentanoate', 'DAVA', '5-AMINO-N-VALERIC ACID', '5-aminovalerate', '5-ammoniopentanoate',... |
139 | 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol | C27H48O3 | 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol | InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3 | CC(C)CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C | [] |
140 | 27-Deoxy-5alpha-cyprinol | C27H48O4 | 17-(7-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol | InChI=1S/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3 | CC(CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C)CO | [] |
141 | (3,4-Dihydroxy-5-oxooxan-2-yl) [[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate | C14H20N2O16P2 | (3,4-dihydroxy-5-oxooxan-2-yl) [[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate | InChI=1S/C14H20N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,6,8-13,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23) | C1C(=O)C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O | [] |
142 | 9H-Purin-6-amine, 9-(5-deoxy-alpha-D-xylofuranosyl)- | C10H13N5O3 | 2-(6-aminopurin-9-yl)-5-methyloxolane-3,4-diol | InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13) | CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O | ['9H-Purin-6-amine, 9-(5-deoxy-.alpha.-D-xylofuranosyl)-', "5\\'-deoxyadenosine", '1H-Purin-6-amine,9-(5-deoxy-b-D-xylofuranosyl)- (9CI)', '9-(5-deoxypentofuranosyl)-9H-purin-6-amine', '2-(6-Amino-purin-9-yl)-5-methyl-tetrahydro-furan-3,4-diol'] |
143 | CID 143 | C20H23N7O7 | 2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid | InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32) | C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O | [] |
144 | 5-Hydroxytryptophan | C11H12N2O3 | 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid | InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16) | C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N | ['5-hydroxytryptophan', 'DL-5-Hydroxytryptophan', '5-Hydroxy-DL-tryptophan', '2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid', '5-HTP', 'DL-Hydroxytryptophan', '(+-)-5-Hydroxytryptophan', 'DL-5-HTP', '5-Hydroxytryptophan DL-form', '5-hydroxy tryptophan', '(+/-)-5-Hydroxytryptophan', 'hydroxytryptophan', '5-hydroxytr... |
145 | 2,3-Dihydroxy-5-oxohexanedioic acid | C6H8O7 | 2,3-dihydroxy-5-oxohexanedioic acid | InChI=1S/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13) | C(C(C(C(=O)O)O)O)C(=O)C(=O)O | [] |
146 | CID 146 | C20H25N7O6 | 2-[[4-[(2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid | InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31) | CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O | [] |
147 | CID 147 | C11H17N3O5Se | 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylaminomethyl)-2-selanylpyrimidin-4-one | InChI=1S/C11H17N3O5Se/c1-12-2-5-3-14(11(20)13-9(5)18)10-8(17)7(16)6(4-15)19-10/h3,6-8,10,12,15-17H,2,4H2,1H3,(H,13,18,20) | CNCC1=CN(C(=NC1=O)[SeH])C2C(C(C(O2)CO)O)O | [] |
148 | CID 148 | C11H17N3O5S | 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylaminomethyl)-2-sulfanylpyrimidin-4-one | InChI=1S/C11H17N3O5S/c1-12-2-5-3-14(11(20)13-9(5)18)10-8(17)7(16)6(4-15)19-10/h3,6-8,10,12,15-17H,2,4H2,1H3,(H,13,18,20) | CNCC1=CN(C(=NC1=O)S)C2C(C(C(O2)CO)O)O | [] |
149 | beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-5-S-methyl-5-thio- | C11H15N5O3S | 2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol | InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14) | CSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O | ['2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol', 'beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-5-S-methyl-5-thio-', "5'-CH3S-xyloA", '(+/-)-p-ethoxybenzoin', '.beta.-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-5-S-methyl-5-thio-', '9-(5-s-methyl-5-thiopentofuranosyl)-9h-purin-6-amine',... |
150 | Phosphoribosylamine | C5H12NO7P | (5-amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate | InChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11) | C(C1C(C(C(O1)N)O)O)OP(=O)(O)O | ['Phosphoribosylamine', '5-phospho-b-D-Ribosylaminium(1-)', '(5-amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate'] |
151 | Phosphoribosyl-N-formylglycineamide | C8H15N2O9P | [5-[(2-formamidoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | InChI=1S/C8H15N2O9P/c11-3-9-1-5(12)10-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H,9,11)(H,10,12)(H2,15,16,17) | C(C1C(C(C(O1)NC(=O)CNC=O)O)O)OP(=O)(O)O | ['Phosphoribosyl-N-formylglycineamide'] |
152 | n-Glycyl-5-o-phosphonopentofuranosylamine | C7H15N2O8P | [5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15) | C(C1C(C(C(O1)NC(=O)CN)O)O)OP(=O)(O)O | ['N-(Aminoacetyl)-5-O-phosphonopentofuranosylamine', 'n-glycyl-5-o-phosphonopentofuranosylamine', '[5-[(2-Aminoacetyl)Amino]-3,4-Dihydroxy-Oxolan-2-Yl]Methoxyphosphonic Acid', '[5-[(2-Aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogenphosphate', '[5-[(2-aminoacetyl)amino]-3,4-dihydroxy-tetrahydrofuran-2-yl]m... |
153 | 1-(5-o-Phosphonopentofuranosyl)-1h-imidazol-5-amine | C8H14N3O7P | [5-(5-aminoimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16) | C1=C(N(C=N1)C2C(C(C(O2)COP(=O)(O)O)O)O)N | ['{[5-(5-amino-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid', '1-(5-o-phosphonopentofuranosyl)-1h-imidazol-5-amine', 'PDACUKOKVHBVHJ-UHFFFAOYSA-N'] |
154 | CID 154 | C8H16N3O8P | [5-[(1-amino-2-formamidoethylidene)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | InChI=1S/C8H16N3O8P/c9-5(1-10-3-12)11-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H2,9,11)(H,10,12)(H2,15,16,17) | C(C1C(C(C(O1)N=C(CNC=O)N)O)O)OP(=O)(O)O | [] |
155 | 5-Ureidoimidazole-4-carboxylic acid | C5H6N4O3 | 4-(carbamoylamino)-1H-imidazole-5-carboxylic acid | InChI=1S/C5H6N4O3/c6-5(12)9-3-2(4(10)11)7-1-8-3/h1H,(H,7,8)(H,10,11)(H3,6,9,12) | C1=NC(=C(N1)C(=O)O)NC(=O)N | ['5-ureidoimidazole-4-carboxylic acid', '5-Ureido-4-imidazole carboxylate', '4-Ureido-5-imidazolecarboxylic acid', '4-(carbamoylamino)-1H-imidazole-5-carboxylic acid', '5-(carbamoylamino)-1H-imidazole-4-carboxylic acid', '4-Imidazolecarboxylic acid, 5-ureido-'] |
156 | 5,6,7,8-Tetrahydropteridine | C6H8N4 | 5,6,7,8-tetrahydropteridine | InChI=1S/C6H8N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4,8H,1-2H2,(H,7,9,10) | C1CNC2=NC=NC=C2N1 | ['5,6,7,8-tetrahydropteridine', 'tetrahydropteridine', 'H4-biopterin', 'Pteridine, 5,6,7,8-tetrahydro-', '5,6,7,8-tetrahydro-Pteridine', 'Pteridine, 5,6,7,8-tetrahydro- (6CI,7CI,8CI,9CI)', 'PTERIDINE, 1,5,6,7-TETRAHYDRO-'] |
157 | 2,3,4,6-Tetrahydroxy-5-oxohexanoic acid | C6H10O7 | 2,3,4,6-tetrahydroxy-5-oxohexanoic acid | InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13) | C(C(=O)C(C(C(C(=O)O)O)O)O)O | ['hex-5-ulosonic acid', '2,3,4,6-tetrahydroxy-5-oxohexanoic acid', '5-keto-D-gluconate', 'D-arabino-5-Hexulosonic acid', 'tagaturonate', '5-k-gluconate', '5-Ketogluconsaure', '5K-GLUCONATE', 'IZSRJDGCGRAUAR-UHFFFAOYSA-N'] |
158 | 8-iso PROSTAGLANDIN E2 | C20H32O5 | 7-[3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]hept-5-enoic acid | InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25) | CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O | ['8-iso PROSTAGLANDIN E2', '7-[3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]hept-5-enoic acid', '7-(3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl)hept-5-enoic acid', '7-[3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxo-cyclopentyl] hepta-5-enoic acid'] |
159 | 5-[5-Hydroxy-4-(3-hydroxyoct-1-enyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid | C20H32O5 | 5-[5-hydroxy-4-(3-hydroxyoct-1-enyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid | InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24) | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)O2)O)O | [] |
160 | 7-[3,5-Dihydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]hept-5-enoic acid | C20H34O5 | 7-[3,5-dihydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]hept-5-enoic acid | InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25) | CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O | ['Prostaglandin F2a;PGF2alpha', '7-[3,5-dihydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]hept-5-enoic acid', '8-EPI-PROSTAGLANDIN F2a', '7-[3,5-Dihydroxy-2-(3-hydroxy-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid', 'PXGPLTODNUVGFL-UHFFFAOYSA-N', '7-[3,5-dihydroxy-2-(3-hydroxyoct-1-en-1-yl)cyclopentyl]hept-5-enoic acid', '2-am... |
161 | [[3-(2-amino-4-oxo-4a,7,8,8a-tetrahydro-3H-pteridin-6-yl)-2,3-dihydroxypropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate | C9H18N5O13P3 | [[3-(2-amino-4-oxo-4a,7,8,8a-tetrahydro-3H-pteridin-6-yl)-2,3-dihydroxypropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate | InChI=1S/C9H18N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4-7,11,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,10,13,14,17) | C1C(=NC2C(N1)N=C(NC2=O)N)C(C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O | [] |
162 | 6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid | C8H12N2O3S | 6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13) | CC1(C(N2C(S1)C(C2=O)N)C(=O)O)C | ['6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid', '6-Amino-3,3-dimethyl-7-oxo-4-thia-1-aza- bicyclo[3.2.0]heptane-2-carboxyl', '4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-', '6-Amino-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic ... |
163 | 7-[2-[3-[[4-[[[5-(6-Aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-7-oxoheptanoic acid | C28H46N7O19P3S | 7-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-7-oxoheptanoic acid | InChI=1S/C28H46N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h14-16,21-23,27,40-41H,3-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45) | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCCCCC(=O)O)O | [] |
164 | 2-Amino-6-diazo-5-oxohexanoic acid | C6H9N3O3 | 2-amino-6-diazo-5-oxohexanoic acid | InChI=1S/C6H9N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h3,5H,1-2,7H2,(H,11,12) | C(CC(=O)C=[N+]=[N-])C(C(=O)O)N | ['6-Diazo-5-oxo-norleucine', '2-Amino-6-diazo-5-oxohexanoic acid', 'Norleucine, 6-diazo-5-oxo-', 'H-6-Diazo-5-oxo-D-Nle-OH', 'H-6-Diazo-5-oxo-Nle-OH', 'Diazooxonorleucin', 'D-DON;H-D-Glu(diazomethylketone)-OH;6-Diazo-5-oxo-D-2-aminohexanoic acid', 'L-DON;H-Glu(diazomethylketone)-OH;6-Diazo-5-oxo-L-2-aminohexanoic acid'... |
165 | 5-Amino-2,6-dihydroxy-6-oxohex-1-ene-1-diazonium | C6H10N3O3+ | 5-amino-2,6-dihydroxy-6-oxohex-1-ene-1-diazonium | InChI=1S/C6H9N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h3,5H,1-2,7H2,(H-,10,11,12)/p+1 | C(CC(=C[N+]#N)O)C(C(=O)O)N | [] |
166 | 1-(2-amino-4-oxo-4a,5,6,7,8,8a-hexahydro-3H-pteridin-6-yl)propane-1,2-dione | C9H13N5O3 | 1-(2-amino-4-oxo-4a,5,6,7,8,8a-hexahydro-3H-pteridin-6-yl)propane-1,2-dione | InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4-5,7,11-12H,2H2,1H3,(H3,10,13,14,17) | CC(=O)C(=O)C1CNC2C(N1)C(=O)NC(=N2)N | [] |
167 | 6,7-Dihydropteridine | C6H6N4 | 6,7-dihydropteridine | InChI=1S/C6H6N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4H,1-2H2 | C1CN=C2C(=N1)C=NC=N2 | ['6,7-dihydropteridine', 'dihydropteridine'] |
168 | Hex6P(?1-4)Hex | C12H23O14P | [3,4,5-trihydroxy-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl dihydrogen phosphate | InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22) | C(C1C(C(C(C(O1)O)O)O)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O)O | [] |
169 | 5,12-Dihydroxyicosa-6,8,10,14-tetraenoic acid | C20H32O4 | 5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid | InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24) | CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O | [] |
170 | CID 170 | C14H14N6O3 | 4-[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methylamino]benzoic acid | InChI=1S/C14H14N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,16H,5-6H2,(H,22,23)(H4,15,17,19,20,21) | C1C(=NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)O | [] |
171 | CID 171 | C7H9N5O | 2-amino-5-(aminomethyl)-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one | InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13) | C1=C(C2=C(N1)NC(=NC2=O)N)CN | [] |
172 | (3beta)-Cholesta-5,7-dien-3-ol | C27H44O | 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol | InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3 | CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C | ['(3.beta.)-Cholesta-5,7-dien-3-ol', '.DELTA.7-Cholesterol', '.DELTA.5,7-Cholesterol', '5,7-Cholestandien-3.beta.-ol', 'Cholesta-5,7-dien-3.beta.-ol', 'Cholesta-5,7-dien-3-ol, (3.beta.)-', 'Cholesta-5,7-dien-3-.beta.-ol'] |
173 | 8-Amino-7-oxononanoic acid | C9H17NO3 | 8-amino-7-oxononanoic acid | InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13) | CC(C(=O)CCCCCC(=O)O)N | ['8-Amino-7-oxononanoic acid', '7-Keto-8-aminopelargonic acid', '8-amino-7-oxononanoate', 'KAPA cpd', '7-oxo-8-amino-nonanoic acid', '8-amino-7-keto-pelargonic acid'] |
174 | Ethylene Glycol | C2H6O2 | ethane-1,2-diol | InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 | C(CO)O | ['ETHYLENE GLYCOL', 'Ethane-1,2-diol', '1,2-ethanediol', 'glycol', 'monoethylene glycol', '1,2-Dihydroxyethane', '2-hydroxyethanol', 'Glycol alcohol', 'Ethylene alcohol', 'Macrogol', 'Fridex', 'Tescol', 'Ethylene dihydrate', 'Norkool', 'Dowtherm SR 1', 'Zerex', 'Lutrol-9', 'ethanediol', 'ethyleneglycol', 'Aethylenglyko... |
175 | Acetate | C2H3O2- | acetate | InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1 | CC(=O)[O-] | ['acetate', 'Acetate Ion', 'Acetic acid, ion(1-)', 'Acetate ions', 'ethanoate', 'Acetate anion', 'Acetoxy ion', 'Acetate ion (1-)', 'Azetat', 'Acetic acid anion', 'MeCO2 anion', 'CH3-COO(-)', 'Ethanoat', 'Shotgun', 'monoacetate', '(C2 H3 O)2-', 'racemic acetate', 'acetyl hydroxide', 'Acetic cid glacial', 'ACETATE [VAND... |
176 | Acetic Acid | C2H4O2 | acetic acid | InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) | CC(=O)O | ['acetic acid', 'ethanoic acid', 'Acetic acid glacial', 'Ethylic acid', 'Vinegar acid', 'Glacial acetic acid', 'Acetic acid, glacial', 'Methanecarboxylic acid', 'Essigsaeure', 'Acide acetique', 'Pyroligneous acid', 'Vinegar', 'Azijnzuur', 'Aceticum acidum', 'Acido acetico', 'Octowy kwas', 'Aci-jel', 'HOAc', 'ethoic aci... |
177 | Acetaldehyde | C2H4O | acetaldehyde | InChI=1S/C2H4O/c1-2-3/h2H,1H3 | CC=O | ['acetaldehyde', 'ethanal', 'acetic aldehyde', 'ethyl aldehyde', 'Acetaldehyd', 'Acetylaldehyde', 'aldehyde', 'Aldeide acetica', 'Octowy aldehyd', 'Aldehyde acetique', 'Ethylaldehyde', 'Azetaldehyd', 'Acetic ethanol', 'acetaldehydes', 'Acetaldehyde (natural)', 'ACETYL GROUP', 'ethaldehyde', 'UNII-GO1N1ZPR3B', 'GO1N1ZPR... |
178 | Acetamide | C2H5NO | acetamide | InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4) | CC(=O)N | ['acetamide', 'Ethanamide', 'Acetic acid amide', 'Methanecarboxamide', 'Acetimidic acid', 'Ethanimidic acid', 'acetamid', 'Amide C2', 'Amid kyseliny octove', 'Acetimidic acid (VAN)', 'CCRIS 2', 'CH3CONH2', 'Amid kyseliny octove [Czech]', 'Essigsaeureamid', 'Ethanamid', 'ACETAMIDE [MI]', 'ACETAMIDE [FHFI]', 'ACETAMIDE [... |
179 | Acetoin | C4H8O2 | 3-hydroxybutan-2-one | InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3 | CC(C(=O)C)O | ['acetoin', '3-hydroxy-2-butanone', '3-hydroxybutan-2-one', 'Acetyl methyl carbinol', 'acetylmethylcarbinol', 'Dimethylketol', '2-Butanone, 3-hydroxy-', '2,3-Butanolone', '2-Hydroxy-3-butanone', '1-Hydroxyethyl methyl ketone', 'Acetoin (natural)', 'Methanol, acetylmethyl-', 'Acethoin', 'gamma-Hydroxy-beta-oxobutane', '... |
180 | Acetone | C3H6O | propan-2-one | InChI=1S/C3H6O/c1-3(2)4/h1-2H3 | CC(=O)C | ['acetone', '2-propanone', 'propanone', 'propan-2-one', 'Dimethyl ketone', 'Pyroacetic ether', 'Methyl ketone', 'Dimethylformaldehyde', 'beta-Ketopropane', 'Dimethylketal', 'Chevron acetone', 'Ketone propane', 'Aceton', 'Pyroacetic acid', 'Ketone, dimethyl', 'dimethylketone', 'Acetone (natural)', 'Dimethyl formaldehyde... |
181 | Acetyl coenzyme A sodium salt | C23H38N7O17P3S | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] ethanethioate | InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38) | CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O | ['Acetyl coenzyme A sodium salt', 'Acetyl-CoenzymeA'] |
182 | [3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [hydroxy(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl] hydrogen phosphate | C63H105NO12P2 | [3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [hydroxy(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl] hydrogen phosphate | InChI=1S/C63H105NO12P2/c1-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)44-45-73-77(69,70)76-78(71,72)75-63-60(64-58(13)66)62(68)61(67)59(46-65)74-63/h24,26,28,30,32,34,36,38,40,42,44,59-63,65,67-68H,14-23,25,27,29,31,... | CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)OC1C(C(C(C(O1)CO)O)O)NC(=O)C)C)C)C)C)C)C)C)C)C)C)C | [] |
183 | [3-Acetamido-5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] [hydroxy(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl] hydrogen phosphate | C71H118N2O17P2 | [3-acetamido-5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] [hydroxy(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl] hydrogen phosphate | InChI=1S/C71H118N2O17P2/c1-49(2)25-15-26-50(3)27-16-28-51(4)29-17-30-52(5)31-18-32-53(6)33-19-34-54(7)35-20-36-55(8)37-21-38-56(9)39-22-40-57(10)41-23-42-58(11)43-24-44-59(12)45-46-85-91(81,82)90-92(83,84)89-71-65(73-61(14)77)68(80)69(63(48-75)87-71)88-70-64(72-60(13)76)67(79)66(78)62(47-74)86-70/h25,27,29,31,33,35,37,... | CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)OC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)O)NC(=O)C)C)C)C)C)C)C)C)C)C)C)C | [] |
184 | 4-[[3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-amino-4-oxobutanoic acid | C12H21N3O8 | 4-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-amino-4-oxobutanoic acid | InChI=1S/C12H21N3O8/c1-4(17)14-8-10(20)9(19)6(3-16)23-11(8)15-7(18)2-5(13)12(21)22/h5-6,8-11,16,19-20H,2-3,13H2,1H3,(H,14,17)(H,15,18)(H,21,22) | CC(=O)NC1C(C(C(OC1NC(=O)CC(C(=O)O)N)CO)O)O | ['4-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-amino-4-oxobutanoic acid', 'AADG;Aspartylglucosamine;N-gamma-(2-Acetamido-2-deoxy-beta-D-gluco-pyranosyl)-L-asparagine', 'N-Asn', '2-acetamido-n-beta-aspartyl-2-deoxyhexopyranosylamine'] |
185 | N-Acetyl-DL-glutamic acid | C7H11NO5 | 2-acetamidopentanedioic acid | InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13) | CC(=O)NC(CCC(=O)O)C(=O)O | ['2-acetamidopentanedioic acid', 'N-Acetyl-DL-glutamic acid', 'N-acetylglutamic acid', 'ACEGLUMATE', 'DL-Acetylglutamic acid', 'Acetyl-DL-glutamic acid', 'acetylglutamate', 'Glutamic acid, N-acetyl-', 'N-Acetyl-DL-glutamicAcid', 'acetyl-glu', '2-acetamidopentanedioicacid', 'DL-Glutamic acid, N-acetyl-', 'RFMMMVDNIPUKGG... |
186 | Acetyl phosphate | C2H5O5P | phosphono acetate | InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6) | CC(=O)OP(=O)(O)O | ['acetylphosphate', 'acetyl phosphate', 'phosphono acetate', 'acetyl dihydrogen phosphate', '(acetyloxy)phosphonic acid', 'acetyl-P', 'Acetic acid, monoanhydride with phosphoric acid', 'acetic phosphoric monoanhydride', 'Acetylphosphic acid', 'UVW', 'acetylphosphoric acid', 'acetic-phosphoricanhydride', 'acetylphosphat... |
187 | Acetylcholine | C7H16NO2+ | 2-acetyloxyethyl(trimethyl)azanium | InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 | CC(=O)OCC[N+](C)(C)C | ['acetylcholine', 'Choline acetate', 'O-Acetylcholine', '(2-Acetoxyethyl)trimethylammonium', 'Acetyl choline ion', 'Acetylcholinum', 'Choline acetate (ester)', 'Acetyl choline cation', '2-(Acetyloxy)-N,N,N-trimethylethanaminium', 'Ach', 'Azetylcholin', '2-acetyloxyethyl(trimethyl)azanium', 'ethanaminium, 2-(acetyloxy)-... |
188 | Hex(?1-4)Hex1Ac | C14H24O12 | [3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] acetate | InChI=1S/C14H24O12/c1-4(17)23-13-11(22)9(20)12(6(3-16)25-13)26-14-10(21)8(19)7(18)5(2-15)24-14/h5-16,18-22H,2-3H2,1H3 | CC(=O)OC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O | [] |
189 | 3-Acetyloxy-2-aminopropanoic acid | C5H9NO4 | 3-acetyloxy-2-aminopropanoic acid | InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9) | CC(=O)OCC(C(=O)O)N | ['O-Acetyl-DL-serine', '3-acetyloxy-2-aminopropanoic acid', '3-(acetyloxy)-2-aminopropanoic acid', 'Serine acetate ester', 'o-Acetylserine #', 'O-acetyl-d,l-serine', 'Serine, acetate (ester)', 'DL-Serine, acetate (ester)', 'VZXPDPZARILFQX-UHFFFAOYSA-N'] |
190 | Adenine | C5H5N5 | 7H-purin-6-amine | InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) | C1=NC2=NC=NC(=C2N1)N | ['adenine', '6-Aminopurine', '1H-Purin-6-amine', '9H-Purin-6-amine', '7H-Purin-6-amine', 'Vitamin B4', 'Adenin', 'Adeninimine', 'Leuco-4', '6-Amino-1H-purine', '6-Amino-3H-purine', '6-Amino-7H-purine', '6-Amino-9H-purine', '1,6-Dihydro-6-iminopurine', 'Purine, 6-amino-', '3,6-Dihydro-6-iminopurine', '1H-Purine, 6-amino... |
191 | 2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | C10H13N5O4 | 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13) | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N | ['2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol', '.beta.-Adenosine', '9-Arabinosyladenine', '2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol', 'Xylosyladenine', '9-Xylosyladenine', 'Xylosyl A', '.beta.-D-Arabinosyladenine', 'Vidarabin', '9.beta.-D-Arabinofuranosyladenine', 'Adenine .beta.-d-arabi... |
192 | Adenosine diphosphate ribose | C15H23N5O14P2 | [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen phosphate | InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18) | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N | ['adenosine diphosphate ribose', 'adpribose', 'ADP-ribose', '[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(3,4,5-trihydroxyoxolan-2-yl)methox', "Adenosine 5'-diphosphoribose", "5'-Diphosphoribose, Adenosine", "5-(Adenosine 5'-pyrophosphoryl)-D-ribose", 'D-ribofuranos-5-yl-ADP', 'Ribose adenosine dip... |
193 | S-adenosyl-dl-homocysteine | C14H20N6O5S | 2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid | InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18) | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N | ['S-adenosyl-dl-homocysteine', "S-(5''-Adenosyl)-D-homocysteine", 'SAH (S-Adenosylhomocysteine)', 's-adenosyl-l-homocystein', '2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulanyl]butanoic acid', '2-amino-4-({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}sulfanyl)butanoic acid', 'S-(((2... |
194 | Bis(5'-adenylyl) diphosphate | C20H28N10O19P4 | [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate | InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26) | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N | ["bis(5'-adenylyl) diphosphate", "adenosine(5')tetraphospho(5')adenosine", 'Ap4A', "A(5')p4(5')A"] |
195 | Aspartyl adenylate | C14H18N5O11P | 2-[[9-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid | InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28) | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)NC(CC(=O)O)C(=O)O | ['Aspartyl adenylate', 'Adenylosuccinate;Aspartyl adenylate', '2-[[9-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid', 'adenylosuccinate'] |
196 | Adipic Acid | C6H10O4 | hexanedioic acid | InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) | C(CCC(=O)O)CC(=O)O | ['adipic acid', 'hexanedioic acid', 'Adipinic acid', '1,4-Butanedicarboxylic acid', 'Acifloctin', 'Acinetten', 'Adilactetten', '1,6-Hexanedioic acid', 'Molten adipic acid', 'Kyselina adipova', 'Adipinsaeure', 'Adipinsaure', 'adipic-acid', 'Adipinsaure [German]', 'Acide adipique', 'Adipidic acid', 'Acide adipique [Frenc... |
197 | [5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate | C10H15N5O10P2 | [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate | InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20) | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N | ['Adenosine_Diphosphate', 'Adenosine disphosphate', 'Adenosine diphosphate;ADP', "Aenosine 5''-Diphosphate", '9-{5-o-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-9h-purin-6-amine', "5''-Adenosinediphosphate (5''-ADP)", '[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate', 'Trisodium... |
198 | [[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate | C16H25N5O15P2 | [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate | InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19) | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N | [] |
199 | Agmatine | C5H14N4 | 2-(4-aminobutyl)guanidine | InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9) | C(CCN=C(N)N)CN | ['agmatine', '1-(4-Aminobutyl)guanidine', '(4-Aminobutyl)guanidine', 'Argmatine', '1-Amino-4-guanidobutane', 'N-(4-aminobutyl)guanidine', 'N-4-Aminobutylguanidine', 'guanidine, (4-aminobutyl)-', '2-(4-aminobutyl)guanidine', '(4-Aminobutyl) guanidine', '1,4-Butanediamine, N-(aminoiminomethyl)-', 'agmatinium', '4-Guanidi... |
200 | 1H-imidazole-4-carboxamide, 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)- | C9H15N4O8P | [5-(5-amino-4-carbamoylimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19) | C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)N | ['ButylammoniumLeadIodide', '1H-imidazole-4-carboxamide, 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-', '[5-(5-amino-4-carbamoylimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate', "Imidazole-4-carboxamide, 5'-(dihydrogen phosphate)", '1H-Imidazole-4-carboxamide, 5-amino-1-(5-O-phosphono-.beta.-D-ri... |
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