Terminology Service for NFDI4Health
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2-hydroxyisovaleryl-CoA(4-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_138296

A fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxyisovaleryl-CoA; major species at pH 7.3.

Term info

Label

2-hydroxyisovaleryl-CoA(4-)

database cross reference
Subsets

3_STAR

charge

-4

formula

C26H40N7O18P3S

has obo namespace

chebi_ontology

has related synonym

2-hydroxy-3-methylbutanoyl-CoA, 2-hydroxy-3-methylbutanoyl-CoA(4-)

id

CHEBI:138296

inchi

InChI=1S/C26H44N7O18P3S/c1-13(2)17(35)25(39)55-8-7-28-15(34)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-14-19(50-52(40,41)42)18(36)24(49-14)33-12-32-16-21(27)30-11-31-22(16)33/h11-14,17-20,24,35-37H,5-10H2,1-4H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t14-,17?,18-,19-,20+,24-/m1/s1

inchikey

OSGWCUXYFMVTPH-MPVICIIESA-J

mass

863.620

monoisotopicmass

863.13853

smiles

[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C(C(C)C)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O