stearoyl-CoA





Chemical Formula:
C39H66N7O17P3S
Molecular Weight:
1029.968 Daltons
Monoisotopic Mass:
1033.3761740790999 Daltons
SMILES:
CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
InChI:
1S/C39H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/t28-,32-,33-,34+,38-/m1/s1

Synonyms
  • n-C18:0CoA
  • stearyl-CoA
  • stearyl coenzyme A

Databases
MetaCyc:  STEAROYL-COA
RefMet:  Stearoyl-CoA
BiGG:  stcoa
PubChem (CID):  45266614 94140
ChEBI:  57394 15541
MetaboLights:  MTBLC57394
HMDB:  HMDB01114
KEGG:  C00412
CAS:  362-66-3
Reactome:  428139
Seed:  cpd00327
MetaNetX:  MNXM272
PupChem (SID):  3702
LIPID MAPS:  LMFA07050369
PDB-CCD:  ST9
NIKKAJI:  J426.067H