Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0M9OW
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| Former ID |
DIB020760
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| Drug Name |
propionyl-CoA
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| Synonyms |
propionyl-CoA; Propionyl coenzyme A; propionyl-coenzyme A; S-Propionylcoenzyme A; Propionyl CoA; S-propanoyl-CoA; propanoyl-coenzyme A; propanoyl-CoA; S-Propionyl-coenzym-A; S-propanoyl-coenzyme A; 317-66-8; UNII-H7HQA57V5H; Coenzyme A, S-propanoate; H7HQA57V5H; QAQREVBBADEHPA-IEXPHMLFSA-N; 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(propanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate); n-Propionyl CoA; 1VU; EINECS 206-266-6; Long-chain acyl-CoA; AC1L3ORM; Coenzyme A, S-pro
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C24H40N7O17P3S
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| Canonical SMILES |
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
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| InChI |
1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1
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| InChIKey |
QAQREVBBADEHPA-IEXPHMLFSA-N
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| CAS Number |
CAS 317-66-8
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:15539
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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: 5248). | |||
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