Structure Database (LMSD)

Common Name
15-Hydroxy-9Z,15Z-octadecadienoic acid
Systematic Name
15-Hydroxy-9Z,15Z-octadecadienoic acid
Synonyms
  • 15-Hydroxy-Z,Z-9,15-octadecadienoic acid
  • 15-Hydroxy-Z,Z-9,15-octadecadienoic acid
  • 15-Hydroxyoctadeca-9c,15c-dienoic acid
LM ID
LMFA02000315
Formula
C18H32O3
Exact Mass
Calculate m/z
296.235145
Sum Composition
FA 18:2;O
Status
Active
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]

String Representations

InChiKey (Click to copy)
MYPYRFSQQKRVDW-DXDNVFLHSA-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/h4,6,14,19H,2-3,5,7-13,15-16H2,1H3,(H,20,21)/b6-4-,17-14+
SMILES (Click to copy)
C(CCCCCCC/C=C\CCCC/C(/O)=C\CC)(=O)O

Other Databases

PubChem CID
131839811
PlantFA ID
10490

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 5.77
Molar Refractivity 88.57

Admin

Created at
-
Updated at
-