MCA

METHYLMALONYL-COENZYME A


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Chemical Component Summary

NameMETHYLMALONYL-COENZYME A
Identifiers(2R)-3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-methyl-3-oxo-propanoic acid
FormulaC25 H40 N7 O19 P3 S
Molecular Weight867.607
TypeNON-POLYMER
Isomeric SMILESC[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
InChIInChI=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
InChIKeyMZFOKIKEPGUZEN-AGCMQPJKSA-N

Chemical Details

Formal Charge0
Atom Count95
Chiral Atom Count8
Bond Count97
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB04045 
Name(R)-methylmalonyl-CoA
Groups experimental
Synonyms
  • (R)-3-Oxo-2-methylpropanoyl-CoA
  • (R)-2-Methyl-3-oxopropionyl-CoA
  • (R)-methylmalonyl-CoA
  • Methylmalonyl-coenzyme A
  • (R)-2-Methyl-3-oxopropanoyl-CoA
Categories
  • Adenine Nucleotides
  • Coenzymes
  • Enzymes and Coenzymes
  • Heterocyclic Compounds, Fused-Ring
  • Nucleic Acids, Nucleotides, and Nucleosides

Drug Targets

NameTarget SequencePharmacological ActionActions
Methylmalonyl-CoA carboxyltransferase 12S subunitMAENNNLKLASTMEGRVEQLAEQRQVIEAGGGERRVEKQHSQGKQTARER...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 449534
ChEBI CHEBI:15465