Structure Database (LMSD)

Common Name
11S-Hydroxylinoleic acid
Systematic Name
11S-hydroxyoctadeca-9Z,12Z-dienoic acid
Synonyms
  • 11S-HODE
LM ID
LMFA02000401
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]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Bis-allylic hydroxylation of polyunsaturated fatty acids by hepatic monooxygenases and its relation to the enzymatic and nonenzymatic formation of conjugated hydroxy fatty acids.,
Arch Biochem Biophys, 1993
Pubmed ID: 8424677

String Representations

InChiKey (Click to copy)
GIJZWHLTBMCTJV-PDBSFCERSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h11-12,14-15,17,19H,2-10,13,16H2,1H3,(H,20,21)/b14-11-,15-12-/t17-/m0/s1
SMILES (Click to copy)
C(CCCCCCC/C=C\[C@@H](O)/C=C\CCCCC)(=O)O

Other Databases

PubChem CID
163087954

Calculated Physicochemical Properties

Heavy Atoms 21
Rings
Aromatic Rings
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 88.90

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Created at
18th Jan 2023
Updated at
18th Jan 2023