Structure Database (LMSD)
Common Name
13S-HODE
Systematic Name
13S-hydroxy-9Z,11E-octadecadienoic acid
Synonyms
- (9Z, 11E)-(13S)-13-Hydroxyoctadeca-9,11-dienoic acid
- 13-HODE
3D model of 13S-HODE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
HNICUWMFWZBIFP-IRQZEAMPSA-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+/t17-/m0/s1
SMILES (Click to copy)
OC(=O)CCCCCCC/C=C\C=C\[C@@H](O)CCCCC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Metabolism of oxidized linoleic acid by glutathione transferases: peroxidase activity toward 13-hydroperoxyoctadecadienoic acid.,
Biochim Biophys Acta, 2006
Biochim Biophys Acta, 2006
Pubmed ID:
16624487
Coriaria myrtifolia
(#3460)
Magnoliopsida
(#3398)
Structure and intraglyceride distribution of coriolic acid.,
Lipids, 1968
Lipids, 1968
Pubmed ID:
17805822
Other Databases
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
SwissLipids ID
Cayman ID
PDB ID
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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Updated at
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