CHEBI:72802 - 18-HEPE

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ChEBI Name 18-HEPE
ChEBI ID CHEBI:72802
Definition A hydroxyicosapentaenoic acid that consists of 5Z,8Z,11Z,14Z,16E-icosapentaenoic acid with the hydroxy group located at position 18.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:1934501
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Formula C20H30O3
Net Charge 0
Average Mass 318.451
Monoisotopic Mass 318.21949
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+
InChIKey LRWYBGFSVUBWMO-UXNZXXPISA-N
SMILES C(CC)(/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via HEPE )
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ChEBI Ontology
Outgoing 18-HEPE (CHEBI:72802) has role human xenobiotic metabolite (CHEBI:76967)
18-HEPE (CHEBI:72802) is a HEPE (CHEBI:72799)
18-HEPE (CHEBI:72802) is conjugate acid of 18-HEPE(1−) (CHEBI:90825)
Incoming 18(R)-HEPE (CHEBI:81563) is a 18-HEPE (CHEBI:72802)
18(S)-HEPE (CHEBI:132801) is a 18-HEPE (CHEBI:72802)
18-HEPE(1−) (CHEBI:90825) is conjugate base of 18-HEPE (CHEBI:72802)
IUPAC Name
(5Z,8Z,11Z,14Z,16E)-18-hydroxyicosa-5,8,11,14,16-pentaenoic acid
Synonyms Sources
(±)-18-HEPE LIPID MAPS
(±)-18-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid LIPID MAPS
Manual Xref Database
LMFA03070033 LIPID MAPS
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Registry Number Type Source
14339377 Reaxys Registry Number Reaxys
Last Modified
22 July 2016