Details of the Drug

General Information of Drug (ID: DMSI7J7)

Drug Name

propionyl-CoA

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

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

Chemical Identifiers

Formula: C24H40N7O17P3S
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
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
InChIKey: QAQREVBBADEHPA-IEXPHMLFSA-N

Cross-matching ID

PubChem CID: 92753
ChEBI ID: CHEBI:15539
CAS Number: 317-66-8
TTD ID: D0M9OW

References

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).