benzoylsuccinyl-CoA
Chemical Formula:
C32H39N7O20P3S
Molecular Weight:
966.676 Daltons
Monoisotopic Mass:
971.1574671108 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)C1(=CC=CC=C1))CC(=O)[O-])COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
InChI:
1S/C32H44N7O20P3S/c1-32(2,26(45)29(46)35-9-8-20(40)34-10-11-63-31(47)18(12-21(41)42)23(43)17-6-4-3-5-7-17)14-56-62(53,54)59-61(51,52)55-13-19-25(58-60(48,49)50)24(44)30(57-19)39-16-38-22-27(33)36-15-37-28(22)39/h3-7,15-16,18-19,24-26,30,44-45H,8-14H2,1-2H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/p-5/t18?,19-,24-,25-,26+,30-/m1/s1
InChIKey:
Databases
MetaCyc:
BENZOYLSUCCINYL-COA
PubChem (CID):
90659089
ChEBI:
28882
KEGG:
C09820
Seed:
cpd06712
MetaNetX:
MNXM5635