Structure Database (LMSD)

OH O OH
Common Name
2R-hydroxy-oleic acid
Systematic Name
2R-hydroxy-9Z-octadecenoic acid
Synonyms
  • 2-hydroxyoleic acid
  • alpha-Hydroxyoleic acid
LM ID
LMFA02000056
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

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)
JBSOOFITVPOOSY-DOOKAGJSSA-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-/t17-/m1/s1
SMILES (Click to copy)
C([C@H](O)CCCCCC/C=C\CCCCCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Solanum lycopersicum (#4081)
Magnoliopsida (#3398)
Functional analysis of alpha-DOX2, an active alpha-dioxygenase critical for normal development in tomato plants.,
Plant Physiol, 2009
Pubmed ID: 19759339

Other Databases

CHEBI ID
179226
PubChem CID
11066464

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
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