Structure Database (LMSD)
Common Name
DL-3-hydroxy caproic acid
Systematic Name
3-hydroxy-hexanoic acid
Synonyms
3D model of DL-3-hydroxy caproic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
3-hydroxy Hexanoic acid is a hydroxylated fatty acid that has been found in methyl-branched poly(3-hydroxyalkanoate) (PHA) polymers produced by P. oleovorans, P. putida, and D. tsuruhatensis.1,2 It is also found in the urine and serum of diabetic patients with ketoacidosis but not healthy patients or diabetic patients without ketoacidosis.3 [Matreya, LLC. Catalog No. 1747]
This information has been provided by Cayman Chemical
References
1. Hazer, B., Lenz, R.W., and Fuller, R.C. Biosynthesis of methyl-branched poly(β-hydroxyalkanoate)s by Pseudomonas oleovorans. Macromol. 27(1), 45-49 (1994).
2. Razaif-Mazinah, M.R.M., Abis, S.N.S., Harun, H.I., et al. Unusual poly(3-hydroxyalkanoate) (PHA) biosynthesis behavior of Pseudomonas putida Bet001 and Delftia tsuruhatensis Bet002 isolated from palm oil mill effluent. Biotechnol. Appl. Biochem. 64(2), 259-269 (2017).
String Representations
InChiKey (Click to copy)
HPMGFDVTYHWBAG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
SMILES (Click to copy)
C(O)(CCC)CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
136.09
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
0.91
Molar Refractivity
33.68
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Updated at
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