Chemical Component Summary

Namepropionyl Coenzyme A
IdentifiersS-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] propanethioate
FormulaC24 H40 N7 O17 P3 S
Molecular Weight823.60
TypeNON-POLYMER
Isomeric SMILESCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
InChIInChI=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
InChIKeyQAQREVBBADEHPA-IEXPHMLFSA-N

Chemical Details

Formal Charge0
Atom Count92
Chiral Atom Count5
Bond Count94
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB02912 
NamePropanoyl-CoA
Groupsexperimental
Synonyms
  • propanoyl-coenzyme A
  • Propionyl-coenzyme A
  • S-Propionyl-coenzym-A
  • Propionyl-CoA
  • Propionyl coenzyme A
Categories
  • Adenine Nucleotides
  • Carbohydrates
  • Coenzymes
  • Enzymes and Coenzymes
  • Glycosides
CAS number317-66-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Propionyl-CoA carboxylase complex B subunitMSEPEEQQPDIHTTAGKLADLRRRIEEATHAGSARAVEKQHAKGKLTARE...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
PubChem92753
ChEBICHEBI:15539