acryloyl-CoA





Chemical Formula:
C24H34N7O17P3S
Molecular Weight:
817.551 Daltons
Monoisotopic Mass:
821.1257730519 Daltons
SMILES:
C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
InChI:
1S/C24H38N7O17P3S/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/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/p-4/t13-,17-,18-,19+,23-/m1/s1

Synonyms
  • acrylyl-coenzyme A
  • propenoyl-CoA
  • acrylyl-CoA

Databases
MetaCyc:  ACRYLYL-COA
PubChem (CID):  45266595
MetaboLights:  MTBLC57367
HMDB:  HMDB02307
ChEBI:  57367 15513
KEGG:  C00894
CAS:  5776-58-9
Seed:  cpd00663
MetaNetX:  MNXM650
PupChem (SID):  4150
LIPID MAPS:  LMFA07050282
NIKKAJI:  J1.210.753F