EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:91274 - (7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoic acid

ChEBI IDCHEBI:91274
ChEBI Name(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoic acid
Stars
ASCII Name(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoic acid
DefinitionA polyunsaturated hydroxy fatty acid that consists of (7Z,10Z,14E,16Z,19Z)-docosapentaenoic acid bearing a single hydroxy substituent at the 13R-position.
Last Modified21 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC22H34O3
Net Charge0
Average Mass346.511
Monoisotopic Mass346.25079
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)/b4-3-,7-6-,12-9-,16-13-,18-15+/t21-/m0/s1
InChIKeyFYXSGJODUCMLMK-RFPXNJKWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (26236990)
Homo sapiens (ncbitaxon:9606) - PubMed (26236990)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoic acid (CHEBI:91274) has functional parent (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid (CHEBI:53488)
(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoic acid (CHEBI:91274) has role human xenobiotic metabolite (CHEBI:76967)
(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoic acid (CHEBI:91274) has role mouse metabolite (CHEBI:75771)
(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoic acid (CHEBI:91274) is a hydroxydocosapentaenoic acid (CHEBI:134651)
(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)
Incoming Relation(s)
(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)
IUPAC Name 
(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosa-7,10,14,16,19-pentaenoic acid
Synonym  Source
(13R)-hydroxy-(7Z,10Z,14E,16Z,19Z)-docosapentaenoic acidChEBI
Citations