4-hydroxybutanoyl-CoA

Chemical Formula:

C₂₅H₃₈N₇O₁₈P₃S

Molecular Weight:

849.593 Daltons

Monoisotopic Mass:

853.1519878024 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCO)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/C25H42N7O18P3S/c1-25(2,20(37)23(38)28-6-5-15(34)27-7-9-54-16(35)4-3-8-33)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,33,36-37H,3-11H2,1-2H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t14-,18-,19-,20+,24-/m1/s1

InChIKey:

BAMBWCGEVIAQBF-CITAKDKDSA-J

Synonyms

4-hydroxybutyryl-CoA

Databases

MetaCyc: 4-HYDROXY-BUTYRYL-COA

RefMet: 4-hydroxybutanoyl-CoA

PubChem (CID): 45266688

ChEBI: 58574

KEGG: C11062

Seed: cpd07946

MetaNetX: MNXM2334