(E)-glutaconyl-CoA

(<i>E</i>)-glutaconyl-CoA




Chemical Formula:
C26H35N7O19P3S
Molecular Weight:
874.579 Daltons
Monoisotopic Mass:
879.1312523603 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C=CCC(=O)[O-])=O)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/C26H40N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h3,5,12-14,19-21,25,38-39H,4,6-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5/b5-3+/t14-,19-,20-,21+,25-/m1/s1
InChIKey:
URTLOTISFJPPOU-DEGQQWIJSA-I

Synonyms
  • glutaconyl-coenzyme A
  • pent-2-enoyl-CoA
  • glutaconyl-1-CoA
  • (2E)-4-carboxybut-2-enoyl-CoA

Databases
MetaCyc:  GLUTACONYL-COA
RefMet:  4-carboxy-2E-butenoyl-CoA
HMDB:  HMDB01290
ChEBI:  57353
PubChem (CID):  45266582
KEGG:  C02411
CAS:  6712-05-6
Seed:  cpd01599
MetaNetX:  MNXM981