(1-hydroxycyclohexan-1-yl)acetyl-CoA
Chemical Formula:
C29H44N7O18P3S
Molecular Weight:
903.684 Daltons
Monoisotopic Mass:
907.1989379949999 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC1(CCCCC1)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/C29H48N7O18P3S/c1-28(2,23(40)26(41)32-9-6-18(37)31-10-11-58-19(38)12-29(42)7-4-3-5-8-29)14-51-57(48,49)54-56(46,47)50-13-17-22(53-55(43,44)45)21(39)27(52-17)36-16-35-20-24(30)33-15-34-25(20)36/h15-17,21-23,27,39-40,42H,3-14H2,1-2H3,(H,31,37)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/p-4/t17-,21-,22-,23+,27-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-625
ChEBI:
57311
PubChem (CID):
45266550
KEGG:
C04316
Seed:
cpd02648
MetaNetX:
MNXM4153