coenzyme A





Chemical Formula:
C21H32N7O16P3S
Molecular Weight:
763.502 Daltons
Monoisotopic Mass:
767.1152083656 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCS)COP(=O)(OP(=O)(OCC1(OC(C(C1OP([O-])(=O)[O-])O)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
InChI:
1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/p-4/t11-,14-,15-,16+,20-/m1/s1

Synonyms
  • CoA
  • co-A-SH
  • co-enzyme-A
  • co-A
  • HS-CoA
  • CoA-SH

Databases
MetaCyc:  CO-A
BiGG:  coa
RefMet:  Coenzyme A
Wikipedia:  Coenzyme_a
MetaboLights:  MTBLC57287
HMDB:  HMDB01423
ChEBI:  57287 15346
PubChem (CID):  25113190 87642
CAS:  85-61-0
KEGG:  C00010
PDB-CCD:  COA
NIKKAJI:  J192.630F
KNApSAcK:  C00007258
PupChem (SID):  3312