Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01AWE
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| Former ID |
DIB018749
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| Drug Name |
acetyl CoA
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| Synonyms |
acetyl coenzyme A; S-acetyl coenzyme A; acetylCoA; acetyl-CoA
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C23H38N7O17P3S
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| Canonical SMILES |
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
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| 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)/t13-,16-,17-,18+,22-/m1/s1
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| InChIKey |
ZSLZBFCDCINBPY-ZSJPKINUSA-N
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| CAS Number |
CAS 72-89-9
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| PubChem Compound ID | ||||
| PubChem Substance ID |
1779, 3326, 585640, 820704, 822294, 823218, 824919, 826846, 829086, 829103, 829806, 831238, 831240, 834102, 837311, 841347, 855085, 7885691, 8027383, 8028055, 8028566, 10299538, 10317655, 10318175, 10318247, 10318521, 11110405, 11110459, 14710306, 14710334, 14710480, 17404244, 17422545, 17424997, 24277059, 24277587, 24424435, 24424471, 24778751, 24778980, 26703508, 26708546, 26716778, 26718485, 26718888, 29196119, 29211946, 36887496, 49742999, 50126532
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| ChEBI ID |
CHEBI:15351
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3038). | |||
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