(S)-3-aminobutanoyl-CoA
Chemical Formula:
C25H40N8O17P3S
Molecular Weight:
849.616 Daltons
Monoisotopic Mass:
853.1757972496999 Daltons
SMILES:
CC(CC(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)[N+]
InChI:
1S/C25H43N8O17P3S/c1-13(26)8-16(35)54-7-6-28-15(34)4-5-29-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,36-37H,4-10,26H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-3/t13-,14+,18+,19+,20-,24+/m0/s1
InChIKey:
Synonyms
- L-3-aminobutanoyl-CoA
- L-3-aminobutyryl-CoA
Databases
MetaCyc:
CPD-672
RefMet:
L-3-aminobutanoyl-CoA
ChEBI:
57366
PubChem (CID):
45266594
HMDB:
HMDB12248
KEGG:
C05231
Seed:
cpd03104
MetaNetX:
MNXM4025