2-amino-5-oxocyclohex-1-enecarboxyl-CoA
Chemical Formula:
C28H39N8O18P3S
Molecular Weight:
900.64 Daltons
Monoisotopic Mass:
904.1628868397 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(CC(=O)CCC(N)=1))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/C28H43N8O18P3S/c1-28(2,22(40)25(41)32-6-5-18(38)31-7-8-58-27(42)15-9-14(37)3-4-16(15)29)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)36-13-35-19-23(30)33-12-34-24(19)36/h12-13,17,20-22,26,39-40H,3-11,29H2,1-2H3,(H,31,38)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/p-4/t17-,20-,21-,22+,26-/m1/s1
InChIKey:
Databases
ChEBI:
58410
PubChem (CID):
25203688
KEGG:
C05165
Seed:
cpd03076
MetaNetX:
MNXM1980