15S-HETE   Click here for help

GtoPdb Ligand ID: 3401

Synonyms: 15(S)-hydroxyeicosatetraenoic acid | 15-HETE
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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 320.24
XLogP 6.41
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC(C=CC=CCC=CCC=CCCCC(=O)O)O
Isomeric SMILES CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)O
InChI InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1
InChI Key JSFATNQSLKRBCI-VAEKSGALSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoic acid
International Nonproprietary Names Click here for help
INN number INN
8573 icomucret
Synonyms Click here for help
15(S)-hydroxyeicosatetraenoic acid | 15-HETE
Database Links Click here for help
ChEBI CHEBI:15558
ChEMBL Ligand CHEMBL594621
GtoPdb PubChem SID 135651378
PubChem CID 5280724
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Wikipedia 15-Hydroxyicosatetraenoic acid