Structure Database (LMSD)

Common Name
Avenoleic acid
Systematic Name
15R-hydroxy-9Z,12Z-octadecadienoic acid
Synonyms
  • 15-hydroxylinoleic acid
LM ID
LMFA02000054
Formula
C18H32O3
Exact Mass
Calculate m/z
296.235145
Sum Composition
FA 18:2;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Avena sativa (#4498)
Magnoliopsida (#3398)
Avenoleic acid: a new oxylipin from oat seeds.,
Adv Exp Med Biol, 1997
Pubmed ID: 9561106

String Representations

InChiKey (Click to copy)
MZQXAWAWDWCIKG-SPSBLGDNSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,20,21)/b6-4-,12-10-/t17-/m1/s1
SMILES (Click to copy)
C(CCCCCCC/C=C\C/C=C\C[C@H](O)CCC)(=O)O

Other Databases

CHEBI ID
165773
PubChem CID
45934094
Cayman ID
38710

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 338.41
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.14
Molar Refractivity 88.90

Admin

Created at
-
Updated at
30th Sep 2024