Structure Database (LMSD)

OH O OH
Common Name
2-hydroxy-9Z,12Z-Octadecadienoic acid
Systematic Name
2-hydroxy-9Z,12Z-Octadecadienoic acid
Synonyms
  • 9,12-Octadecadienoic acid, 2-hydroxy-, (9Z,12Z)-
  • 9,12-Octadecadienoic acid, 2-hydroxy-, (Z,Z)-
  • -alpha-Hydroxylinoleic acid
LM ID
LMFA02000290
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

Main

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)
AFDSETGKYZMEEA-HZJYTTRNSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h6-7,9-10,17,19H,2-5,8,11-16H2,1H3,(H,20,21)/b7-6-,10-9-
SMILES (Click to copy)
C(C(O)CCCCCC/C=C\C/C=C\CCCCC)(=O)O

References

Other Databases

CHEBI ID
136927
PubChem CID
21158511
PlantFA ID
10580

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 88.9

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Created at
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Updated at
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