2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA
Chemical Formula:
C28H40N7O19P3S
Molecular Weight:
903.641 Daltons
Monoisotopic Mass:
907.1625524887 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(C(O)CCCC1=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/C28H44N7O19P3S/c1-28(2,22(40)25(41)31-7-6-17(38)30-8-9-58-27(42)18-14(36)4-3-5-15(18)37)11-51-57(48,49)54-56(46,47)50-10-16-21(53-55(43,44)45)20(39)26(52-16)35-13-34-19-23(29)32-12-33-24(19)35/h12-14,16,18,20-22,26,36,39-40H,3-11H2,1-2H3,(H,30,38)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/p-4/t14?,16-,18?,20-,21-,22+,26-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-15900
PubChem (CID):
72551544
ChEBI:
76527
Seed:
cpd06717
MetaNetX:
MNXM6723
KEGG:
C09825