13-HODE   Click here for help

GtoPdb Ligand ID: 5426

Synonyms: α-artemisolic acid | 13-hydroxylinoleic acid | coriolic acid
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 14
Topological polar surface area 57.53
Molecular weight 296.24
XLogP 5.93
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC(C=CC=CCCCCCCCC(=O)O)O
Isomeric SMILES CCCCCC(/C=C/C=C\CCCCCCCC(=O)O)O
InChI 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+
InChI Key HNICUWMFWZBIFP-BSZOFBHHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(9Z,11E)-13-hydroxyoctadeca-9,11-dienoic acid
Synonyms Click here for help
α-artemisolic acid | 13-hydroxylinoleic acid | coriolic acid
Database Links Click here for help
CAS Registry No. 18104-45-5
ChEBI CHEBI:72639
GtoPdb PubChem SID 178102079
PubChem CID 5282947
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