General
Preferred name
PD054545
Synonyms
2-Hydroxyhexanoic acid ()
2-Hydroxycaproic acid ()
P&D ID
PD054545
CAS
6064-63-7
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-Hydroxyhexanoic acid is an endogenous metabolite.
PRICE 29
DESCRIPTION 2-Hydroxyhexanoic acid (2-Hydroxycaproic acid) is a branched-chain alpha-keto acid that has been reported in normal human blood and in normal amniotic fluid. It has been found that 2-Hydroxyhexanoic acid is the most significant metabolite found in the CSF of patients infected with Nocardia.
Compound Sets
2
MedChem Express Bioactive Compound Library
HY-75954
Selleckchem Bioactive Compound Library
2-hydroxycaproic-acid
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
132.08
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
0
Aromatic Ring Count
0
cLogP
0.62
TPSA
57.53
Fraction CSP3
0.83
Chiral centers
1.0
Largest ring
0.0
QED
0.59
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Pathway
Metabolic Enzyme/Protease
Source data