(2-aminobenzoyl)acetyl-CoA
Chemical Formula:
C30H39N8O18P3S
Molecular Weight:
924.662 Daltons
Monoisotopic Mass:
928.1628868397 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(C1(C(=CC=CC=1)N))=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/C30H43N8O18P3S/c1-30(2,25(43)28(44)34-8-7-20(40)33-9-10-60-21(41)11-18(39)16-5-3-4-6-17(16)31)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)38-15-37-22-26(32)35-14-36-27(22)38/h3-6,14-15,19,23-25,29,42-43H,7-13,31H2,1-2H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t19-,23-,24-,25+,29-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-19113
ChEBI:
131447
PubChem (CID):
118797971
MetaNetX:
MNXM162336
KEGG:
C21452