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

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ChEBI Name (4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoic acid
ChEBI ID CHEBI:72608
ChEBI ASCII Name (4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoic acid
Definition A hydroxydocosahexaenoic acid that consists of (4Z,7Z,10Z,14E,16Z,19Z)-docosahexaenoic acid bearing an additional 13-hydroxy substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Secondary ChEBI IDs CHEBI:140199
Supplier Information ChemicalBook:CB71074902, ChemicalBook:CB6195447, eMolecules:514405, ZINC000000895124
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Formula C22H32O3
Net Charge 0
Average Mass 344.489
Monoisotopic Mass 344.23514
InChI InChI=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+
InChIKey SEVOKGDVLLIUMT-SKSHMZPZSA-N
SMILES C(C(O)=O)C/C=C\C/C=C\C/C=C\CC(/C=C/C=C\C/C=C\CC)O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: PubMed
Homo sapiens (NCBI:txid9606) See: PubMed
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.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via hydroxydocosahexaenoic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Sources
13-HDHA SUBMITTER
13-HDoHE LIPID MAPS
13-hydroxy-4Z,7Z,10Z,14E,16Z,19Z-docosahexaenoic acid LIPID MAPS
Manual Xref Database
LMFA04000029 LIPID MAPS
View more database links
Registry Number Type Source
14339383 Reaxys Registry Number Reaxys
Citations Types Sources
12391014 PubMed citation Europe PMC
26339618 PubMed citation Europe PMC
Last Modified
22 February 2018