4-acetamidobutanoyl-CoA
Chemical Formula:
C27H41N8O18P3S
Molecular Weight:
890.645 Daltons
Monoisotopic Mass:
894.1785369039 Daltons
SMILES:
CC(=O)NCCCC(=O)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-]
InChI:
1S/C27H45N8O18P3S/c1-15(36)29-7-4-5-18(38)57-10-9-30-17(37)6-8-31-25(41)22(40)27(2,3)12-50-56(47,48)53-55(45,46)49-11-16-21(52-54(42,43)44)20(39)26(51-16)35-14-34-19-23(28)32-13-33-24(19)35/h13-14,16,20-22,26,39-40H,4-12H2,1-3H3,(H,29,36)(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,28,32,33)(H2,42,43,44)/p-4/t16-,20-,21-,22+,26-/m1/s1
InChIKey:
Databases
MetaCyc:
4-ACETAMIDOBUTANOYL
ChEBI:
58583
PubChem (CID):
45266693
KEGG:
C03357
Seed:
cpd02133
MetaNetX:
MNXM4357