Details of the Drug

General Information of Drug (ID: DM9ZY2A)

Drug Name

malonyl-CoA

Synonyms

malonyl-CoA; Malonyl CoA; MALONYL COENZYME A; malonyl-coenzyme a; Coenzyme A, S-(hydrogen propanedioate); S-(Hydrogen malonyl)coenzyme A; S-Malonyl-CoA; 524-14-1; LTYOQGRJFJAKNA-DVVLENMVSA-N; Coenzyme A, S-(hydrogen malonate); MLC; 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxyacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}; Malonyl coenzyme A lithium salt; AC1LD8I8; SCHEMBL6450; GTPL5219; CHEBI:15531; ZINC8551112; LMFA07050345; AKOS030622855; DB04524

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: C24H38N7O19P3S
Canonical SMILES: 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)CC(=O)O)O
InChI: 1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1
InChIKey: LTYOQGRJFJAKNA-DVVLENMVSA-N

Cross-matching ID

PubChem CID: 644066
ChEBI ID: CHEBI:15531
CAS Number: 524-14-1
UNII: LNB9YCJ9F9
DrugBank ID: DB04524
TTD ID: D0D0PV

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: 5219).