General
Preferred name
PD144384
Synonyms
2-Methylvaleric acid ()
2-Methylpentanoic acid ()
2-Methylvaleric acid, Methylpropylacetic acid ()
P&D ID
PD144384
CAS
22160-39-0
97-61-0
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 2-Methylvaleric acid is a branched short-chain fatty acid (SCFA) produced by the metabolism of branched-chain amino acids by gut microbes. 2-Methylvaleric acid can be used as a potential biomarker for metabolic diseases such as type 2 diabetes, and its content is significantly reduced in the feces of diabetic mice. 2-Methylvaleric acid may regulate host energy metabolism and inflammatory response through G protein-coupled receptors (GPCRs) or histone deacetylase (HDAC) inhibition. 2-Methylvaleric acid can be used to study gut microbe-host interactions and metabolic diseases as a fecal biomarker[1][2].
PRICE 29
DESCRIPTION 2-METHYLVALERIC ACID is a natural product. (TargetMol Bioactive Compound Library)
Compound Sets
3
MedChem Express Bioactive Compound Library
HY-W010516
Selleckchem Bioactive Compound Library
2-methylpentanoic-acid
TargetMol Bioactive Compound Library
T5685
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
116.08
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
0
Aromatic Ring Count
0
cLogP
1.51
TPSA
37.3
Fraction CSP3
0.83
Chiral centers
1.0
Largest ring
0.0
QED
0.61
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Pathway
Metabolism
Metabolic Enzyme/Protease
Source data