20-HETE   Click here for help

GtoPdb Ligand ID: 4103

Synonyms: 20-hydroxyeicosatetraenoic acid
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 15
Topological polar surface area 57.53
Molecular weight 320.24
XLogP 6.58
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES OCCCCCC=CCC=CCC=CCC=CCCCC(=O)O
Isomeric SMILES OCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-
InChI Key NNDIXBJHNLFJJP-DTLRTWKJSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoic acid
Synonyms Click here for help
20-hydroxyeicosatetraenoic acid
Database Links Click here for help
CAS Registry No. 79551-86-3 (source: Scifinder)
ChEBI CHEBI:34306
GtoPdb PubChem SID 178100926
PubChem CID 5283157
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