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CHEBI:76962 - 20-HEPE

ChEBI IDCHEBI:76962
ChEBI Name20-HEPE
Stars
DefinitionA HEPE obtained by hydroxylation at position 20 of all-cis-5,8,11,14,17-icosapentaenoic acid.
Last Modified1 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESO=C(O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCO
InChIInChI=1S/C20H30O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12-13,15,21H,2,5,8,11,14,16-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-,15-13-
InChIKeyPPMOWWAALQWWLJ-NUKMUHRASA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
20-HEPE (CHEBI:76962) has functional parent all-cis-5,8,11,14,17-icosapentaenoic acid (CHEBI:28364)
20-HEPE (CHEBI:76962) is a HEPE (CHEBI:72799)
20-HEPE (CHEBI:76962) is a homoallylic alcohol (CHEBI:134362)
20-HEPE (CHEBI:76962) is conjugate acid of 20-HEPE(1−) (CHEBI:76639)
Incoming Relation(s)
20-HEPE(1−) (CHEBI:76639) is conjugate base of 20-HEPE (CHEBI:76962)
IUPAC Name 
(5Z,8Z,11Z,14Z,17Z)-20-hydroxyicosa-5,8,11,14,17-pentaenoic acid
Synonyms  Source
(5Z,8Z,11Z,14Z,17Z)-20-hydroxyeicosapentaenoic acidChEBI
20-hydroxy-(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoic acidChEBI
20-hydroxy-(5Z,8Z,11Z,14Z,17Z)-icosapentaenoic acidChEBI
(5Z,8Z,11Z,14Z,17Z)-20-hydroxyicosapentaenoic acidChEBI
Citations