3-Hydroxyisovalerate
3-hydroxy-3-methylbutanoate
Molecular Identity
3-Hydroxyisovalerate
3-hydroxy-3-methylbutanoate
PubChem CID: 6950804
3-hydroxyisovalerate is a hydroxy monocarboxylic acid anion that is the conjugate base of 3-hydroxyisovaleric acid. It has a role as a human metabolite. It is a conjugate base of a 3-hydroxyisovaleric acid.
2D Structure
Properties
C5H9O3-
Molecular Formula
117.12
Molecular Weight
g/mol
117.0552
Exact Mass
Da
0.3
XLogP
Drug-like (Lipinski: < 5)
60.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
90
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(CC(=O)[O-])OIsomeric SMILES
SMILES: CC(C)(CC(=O)[O-])OSynonyms(11)
3-hydroxy-3-methylbutanoate3-Hydroxy-3-methylbutyrate3-Hydroxyisovaleratebeta-hydroxyisovalerateCHEBI:82957beta-Hydroxy-beta-methylbutyrateBETA-HYDROXY-BETA-METHYLBUTYRATE [WHO-DD]RefChem:198308.BETA.-HYDROXY-.BETA.-METHYLBUTYRATE3-hydroxy-3-methyl-butyrateQ5018813
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 3-Hydroxyisovalerate
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