crotonyl-CoA





Chemical Formula:
C25H36N7O17P3S
Molecular Weight:
831.577 Daltons
Monoisotopic Mass:
835.1414231161 Daltons
SMILES:
CC=CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O
InChI:
1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/b5-4+/t14-,18-,19-,20?,24-/m1/s1

Synonyms
  • crotonyl-S-CoA
  • crotonyl-coenzyme A
  • crotonoyl-CoA
  • 2-butenoyl-CoA
  • trans-but-2-enoyl-CoA
  • but-2-enoyl-CoA
  • trans-butyr-2-enoyl-CoA
  • (E)-but-2-enoyl-CoA
  • (2E)-But-2-enoyl-CoA

Databases
MetaCyc:  CROTONYL-COA
BiGG:  b2coa
MetaboLights:  MTBLC57332
HMDB:  HMDB02009
ChEBI:  57332 15473 36926
PubChem (CID):  25245057 45266565
KEGG:  C00877
UMBBD-Compounds:  c0032
CAS:  102680-35-3
PupChem (SID):  4133
LIPID MAPS:  LMFA07050307
Seed:  cpd00650
MetaNetX:  MNXM214