1-methylpyrrolidine-2-acetyl-CoA
Chemical Formula:
C28H44N8O17P3S
Molecular Weight:
889.68 Daltons
Monoisotopic Mass:
893.2070973781 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC1([N+](CCC1)C))=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/C28H47N8O17P3S/c1-28(2,23(40)26(41)31-7-6-18(37)30-8-10-57-19(38)11-16-5-4-9-35(16)3)13-50-56(47,48)53-55(45,46)49-12-17-22(52-54(42,43)44)21(39)27(51-17)36-15-34-20-24(29)32-14-33-25(20)36/h14-17,21-23,27,39-40H,4-13H2,1-3H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-3/t16?,17-,21-,22-,23+,27-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-9771
PubChem (CID):
90657824
Seed:
cpd25830
MetaNetX:
MNXM9629