phenylglyoxylyl-CoA
Chemical Formula:
C29H36N7O18P3S
Molecular Weight:
895.621 Daltons
Monoisotopic Mass:
899.1363377382 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C(C1(C=CC=CC=1))=O)=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/C29H40N7O18P3S/c1-29(2,23(40)26(41)32-9-8-18(37)31-10-11-58-28(42)20(38)16-6-4-3-5-7-16)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(39)27(52-17)36-15-35-19-24(30)33-14-34-25(19)36/h3-7,14-15,17,21-23,27,39-40H,8-13H2,1-2H3,(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-7242
ChEBI:
58811
PubChem (CID):
46173476
KEGG:
C15524
Seed:
cpd11203
MetaNetX:
MNXM2272