Structure Database (LMSD)
Common Name
(+)-3-hydroxy pelargonic acid
Systematic Name
3-hydroxy-nonanoic acid
Synonyms
3D model of (+)-3-hydroxy pelargonic 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 Nonanoic acid is a hydroxylated fatty acid that has been found in young peridioles of Pisolithus fungi, LPS from P. aeruginosa, bovine milk, and the methyl-branched poly(3-hydroxyalkanoate) (PHA) polymers produced by P. oleovorans.1,2,3,4 [Matreya, LLC. Catalog No. 1725]
This information has been provided by Cayman Chemical
References
2. Parks, O.W. Isolation and characterization of nonesterified 3-hydroxy acids in milk. J. Dairy Sci. 60(5), 718-720 (1977).
3. Campos, A.N.R., Costa, M.D., Tótola, M.R., et al. Total lipid and fatty acid accumulation during basidiospore formation in the ectomycorrhizal fungus Pisolithus sp. R. Bras. Ci. Solo 32(4), 1531-1540 (2008).
4. 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).
String Representations
InChiKey (Click to copy)
XBUXARJOYUQNTC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O3/c1-2-3-4-5-6-8(10)7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)
SMILES (Click to copy)
C(O)(CCCCCC)CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
187.99
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
2.08
Molar Refractivity
47.53
Admin
Created at
-
Updated at
-