4-methylcyclohex-1,5-diene-1-carbonyl-CoA
Chemical Formula:
C29H40N7O17P3S
Molecular Weight:
883.653 Daltons
Monoisotopic Mass:
887.1727232444999 Daltons
SMILES:
CC4(C=CC(C(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-])=O)=CC4)
InChI:
1S/C29H44N7O17P3S/c1-16-4-6-17(7-5-16)28(41)57-11-10-31-19(37)8-9-32-26(40)23(39)29(2,3)13-50-56(47,48)53-55(45,46)49-12-18-22(52-54(42,43)44)21(38)27(51-18)36-15-35-20-24(30)33-14-34-25(20)36/h4,6-7,14-16,18,21-23,27,38-39H,5,8-13H2,1-3H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/t16?,18-,21-,22-,23+,27-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14810
PubChem (CID):
90658598
MetaNetX:
MNXM114597