Details of the Drug

General Information of Drug (ID: DMS4EAM)

Drug Name

methylmalonyl-CoA

Synonyms

Methylmalonyl coa; methylmalonyl-CoA; Methylmalonyl coenzyme A; Coenzyme A, methylmalonyl-; methylmalonyl-coenzyme A; 1264-45-5; 2-Methylmalonyl-CoA; Coenzyme A, S-(hydrogen methylpropanedioate); ta-D-ribofuranosyl]-; Isosuccinyl coenzyme A; Methylmalonyl coemzyme A; AC1Q5ROZ; METHYL-MALONYL-COA; (2RS)-Methylmalonyl CoA; AC1L3XJ1; SCHEMBL25429; 2-methyl-3-oxopropanoyl-CoAs; GTPL5223; CHEBI:16625; CTK4B5185; MZFOKIKEPGUZEN-FBMOWMAESA-N; RTR-032790; Coenzyme A, S-(hydrogen methylmalonate); Coenzyme A, S-(hydrogenmethylpropanedioate

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: C25H40N7O19P3S
Canonical SMILES: CC(C(=O)O)C(=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/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12?,13-,16-,17-,18+,22-/m1/s1
InChIKey: MZFOKIKEPGUZEN-FBMOWMAESA-N

Cross-matching ID

PubChem CID: 123909
ChEBI ID: CHEBI:16625
CAS Number: 1264-45-5
UNII: FZ43RKZ3NL
DrugBank ID: DB01675
TTD ID: D0H8IT

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: 5223).