(2Z)-2-hydroxypent-2-enedioyl-CoA
Chemical Formula:
C26H35N7O20P3S
Molecular Weight:
890.579 Daltons
Monoisotopic Mass:
895.1261669823999 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C(O)=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/C26H40N7O20P3S/c1-26(2,20(39)23(40)29-6-5-15(35)28-7-8-57-25(41)13(34)3-4-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-19(52-54(42,43)44)18(38)24(51-14)33-12-32-17-21(27)30-11-31-22(17)33/h3,11-12,14,18-20,24,34,38-39H,4-10H2,1-2H3,(H,28,35)(H,29,40)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/p-5/b13-3-/t14-,18-,19-,20+,24-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-16851
PubChem (CID):
90658729
MetaNetX:
MNXM722912