18R-HEPE   Click here for help

GtoPdb Ligand ID: 3400

Synonyms: 18R HEPE | 18R-hydroxyeicosapentaenoic acid
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 57.53
Molecular weight 318.22
XLogP 6.09
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCC(C=CC=CCC=CCC=CCC=CCCCC(=O)O)O
Isomeric SMILES CC[C@H](/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O
InChI InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m1/s1
InChI Key LRWYBGFSVUBWMO-UAAZXLHOSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(5Z,8Z,11Z,14Z,16E,18R)-18-hydroxyicosa-5,8,11,14,16-pentaenoic acid
Synonyms Click here for help
18R HEPE | 18R-hydroxyeicosapentaenoic acid
Database Links Click here for help
CAS Registry No. 312516-11-3 (source: Scifinder)
GtoPdb PubChem SID 178100412
PubChem CID 16061126
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