4-aminobutanoyl-coA
Chemical Formula:
C25H40N8O17P3S
Molecular Weight:
849.616 Daltons
Monoisotopic Mass:
853.1757972496999 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC[N+])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/C25H43N8O17P3S/c1-25(2,20(37)23(38)29-7-5-15(34)28-8-9-54-16(35)4-3-6-26)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)33-13-32-17-21(27)30-12-31-22(17)33/h12-14,18-20,24,36-37H,3-11,26H2,1-2H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-3/t14-,18-,19-,20+,24-/m1/s1
InChIKey:
Databases
MetaCyc:
4-AMINOBUTANOYL-COA
ChEBI:
57352
PubChem (CID):
45266581
KEGG:
C02801
Seed:
cpd01810
MetaNetX:
MNXM4359