Structure Database (LMSD)

Common Name
beta-kamlolenic acid
Systematic Name
18-hydroxy-9E,11E,13E-octadecatrienoic acid
Synonyms
  • 18-hydroxy-trans-9,trans-11,trans-13-octadecatrienoic acid
  • beta-Camlolenic acid
LM ID
LMFA02000157
Formula
C18H30O3
Exact Mass
Calculate m/z
294.219495
Sum Composition
FA 18:3;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)
YPHQMIRXEFDOQM-KERFEQBRSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-3,5,7,9,19H,4,6,8,10-17H2,(H,20,21)/b2-1+,5-3+,9-7+
SMILES (Click to copy)
C(/C=C/C=C/CCCCO)=C\CCCCCCCC(=O)O

Other Databases

CHEBI ID
187071
PubChem CID
5282950
PlantFA ID
10285

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 335.77
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.92
Molar Refractivity 88.80

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Created at
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Updated at
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