(2S)-methylsuccinyl-CoA
Chemical Formula:
C26H37N7O19P3S
Molecular Weight:
876.595 Daltons
Monoisotopic Mass:
881.1469024244999 Daltons
SMILES:
CC(CC(=O)[O-])C(=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/C26H42N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,37-38H,4-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5/t13-,14+,18+,19+,20-,24+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-9407
ChEBI:
84866
PubChem (CID):
90659890
Seed:
cpd19589
MetaNetX:
MNXM5823
KEGG:
C18324