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CHEBI:72608 - (4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoic acid

ChEBI IDCHEBI:72608
ChEBI Name(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoic acid
Stars
ASCII Name(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoic acid
DefinitionA hydroxydocosahexaenoic acid that consists of (4Z,7Z,10Z,14E,16Z,19Z)-docosahexaenoic acid bearing an additional 13-hydroxy substituent.
Secondary ChEBI IDCHEBI:140199
Last Modified22 February 2018
SubmitterBijay, mwilliams
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESCC/C=C\C/C=C\C=C\C(O)C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H32O3/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/h3-4,6-7,9,11-16,18,21,23H,2,5,8,10,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,12-9-,14-11-,16-13-,18-15+
InChIKeySEVOKGDVLLIUMT-SKSHMZPZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (12391014)
Homo sapiens (ncbitaxon:9606) - PubMed (12391014)
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 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.
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)
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoic acid (CHEBI:72608) has role human xenobiotic metabolite (CHEBI:76967)
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoic acid (CHEBI:72608) has role mouse metabolite (CHEBI:75771)
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoic acid (CHEBI:72608) is a hydroxydocosahexaenoic acid (CHEBI:72790)
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoic acid (CHEBI:72608) is a secondary allylic alcohol (CHEBI:134396)
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoic acid (CHEBI:72608) is conjugate acid of (4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate (CHEBI:90815)
Incoming Relation(s)
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate (CHEBI:90815) is conjugate base of (4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoic acid (CHEBI:72608)
IUPAC Name 
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosa-4,7,10,14,16,19-hexaenoic acid
Synonyms  Source
13-HDoHELIPID MAPS
13-hydroxy-4Z,7Z,10Z,14E,16Z,19Z-docosahexaenoic acidLIPID MAPS
13-HDHASUBMITTER
Manual XrefsDatabases
LMFA04000029LIPID MAPS
Registry NumbersSources
Reaxys:14339383Reaxys
Citations