3-hydroxyisovaleryl-CoA

Chemical Formula:

C₂₆H₄₀N₇O₁₈P₃S

Molecular Weight:

863.619 Daltons

Monoisotopic Mass:

867.1676378666 Daltons

SMILES:

CC(COP(=O)([O-])OP(=O)([O-])OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])([O-])=O))(C)C(C(NCCC(NCCSC(=O)CC(C)(C)O)=O)=O)O

InChI:

1S/C26H44N7O18P3S/c1-25(2,20(37)23(38)29-6-5-15(34)28-7-8-55-16(35)9-26(3,4)39)11-48-54(45,46)51-53(43,44)47-10-14-19(50-52(40,41)42)18(36)24(49-14)33-13-32-17-21(27)30-12-31-22(17)33/h12-14,18-20,24,36-37,39H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4

InChIKey:

PEVZKILCBDEOBT-UHFFFAOYSA-J

Synonyms

3-hydroxy-isovaleryl-coa
3-hydroxy-iso-valeryl-CoA

Databases

MetaCyc: 3-HYDROXY-ISOVALERYL-COA

ChEBI: 62555

PubChem (CID): 25203667 53262339

Seed: cpd03570

HMDB: HMDB06870

MetaNetX: MNXM4987

KEGG: C05998