Structure Database (LMSD)

Common Name
Coriolic acid
Systematic Name
13-hydroxy-9Z,11E-octadecadienoic acid
Synonyms
  • 13-hydroxy-cis-9,trans-11-octadecadienoic acid
  • Artemesic acid
  • alpha-Artemisolic acid
  • a-Artemisolic acid
  • 13-HODE
LM ID
LMFA02000154
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
View MassBank spectra

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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Free and esterified 13(R,S)-hydroxyoctadecadienoic acids: principal oxygenase products in psoriatic skin scales.,
J Lipid Res, 1990
Pubmed ID: 2107270

String Representations

InChiKey (Click to copy)
HNICUWMFWZBIFP-BSZOFBHHSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+
SMILES (Click to copy)
C(CCCCCCC(=O)O)/C=C\C=C\C(O)CCCCC

Other Databases

KEGG ID
C14762
HMDB ID
HMDB0112194
CHEBI ID
72639
PubChem CID
5282947
Cayman ID
38600
GuidePharm ID
5426

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 88.90

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Created at
-
Updated at
15th Nov 2024