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CHEBI:90824 - (7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoate

ChEBI IDCHEBI:90824
ChEBI Name(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoate
Stars
ASCII Name(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoate
DefinitionA polyunsaturated fatty acid anion that is the conjugate base of (13R)-hydroxy-(7Z,10Z,14E,16Z,19Z)-docosapentaenoic acid, arising from deprotonation of the carboxylic acid group; major species at pH 7.3. It is an intermediate in 13-series resolvins biosynthesis from DPA (ω-3).
Last Modified21 February 2017
Submitternhn
DownloadsMolfile
FormulaC22H33O3
Net Charge-1
Average Mass345.503
Monoisotopic Mass345.24352
SMILESCC/C=C\C/C=C\C=C\[C@H](O)C/C=C\C/C=C\CCCCCC(=O)[O-]
InChIInChI=1S/C22H34O3/c1-2-3-4-5-9-12-15-18-21(23)19-16-13-10-7-6-8-11-14-17-20-22(24)25/h3-4,6-7,9,12-13,15-16,18,21,23H,2,5,8,10-11,14,17,19-20H2,1H3,(H,24,25)/p-1/b4-3-,7-6-,12-9-,16-13-,18-15+/t21-/m0/s1
InChIKeyFYXSGJODUCMLMK-RFPXNJKWSA-M
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (26236990)
Homo sapiens (ncbitaxon:9606) - PubMed (26236990)
Roles Classification
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoate (CHEBI:90824) has functional parent (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate (CHEBI:77224)
(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoate (CHEBI:90824) has role human xenobiotic metabolite (CHEBI:76967)
(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoate (CHEBI:90824) has role mouse metabolite (CHEBI:75771)
(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoate (CHEBI:90824) is a hydroxydocosapentaenoate (CHEBI:133654)
(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoate (CHEBI:90824) is conjugate base of (7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoic acid (CHEBI:91274)
Incoming Relation(s)
(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoic acid (CHEBI:91274) is conjugate acid of (7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoate (CHEBI:90824)
IUPAC Name 
(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosa-7,10,14,16,19-pentaenoate
Synonym  Source
13R-HDPA(1−)SUBMITTER
UniProt Name  Source
13R-hydroxy-(7Z,10Z,14E,16Z,19Z)-docosapentaenoateUniProt
Citations