Structure Database (LMSD)

Common Name
2-Hydroxyoleic acid
Systematic Name
2-Hydroxy-9Z-octadecenoic acid
Synonyms
  • 9-Octadecenoic acid, 2-hydroxy-, (9Z)-
  • 9-Octadecenoic acid, 2-hydroxy-, (Z)-
  • (Z)-2-Hydroxyoctadec-9-enoic acid
  • 2-Hydroxyoleic acid
  • Minerval
  • cis-2-Hydroxy-9-octadecenoic acid
  • -alpha-Hydroxyoleic acid
LM ID
LMFA01050540
Formula
C18H34O3
Exact Mass
Calculate m/z
298.250795
Sum Composition
FA 18:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Membrane structure modulation, protein kinase C alpha activation, and anticancer activity of minerval.,
Mol Pharmacol, 2005
Pubmed ID: 15531732

String Representations

InChiKey (Click to copy)
JBSOOFITVPOOSY-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h9-10,17,19H,2-8,11-16H2,1H3,(H,20,21)/b10-9-
SMILES (Click to copy)
C(C(O)CCCCCC/C=C\CCCCCCCC)(=O)O

Other Databases

CHEBI ID
143096
PubChem CID
9796304
PlantFA ID
10581
Cayman ID
36044

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 341.05
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.37
Molar Refractivity 88.99

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Created at
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Updated at
14th Nov 2024