CHEBI:72637 - (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid
ChEBI ID CHEBI:72637
ChEBI ASCII Name (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid
Definition A hydroxydocosahexaenoic acid that consists of 4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid bearing an additional 17-hydroxy substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Secondary ChEBI IDs CHEBI:140227
Supplier Information ChemicalBook:CB8365581, eMolecules:477820, ZINC000004428526
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Formula C22H32O3
Net Charge 0
Average Mass 344.489
Monoisotopic Mass 344.23514
InChI InChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+
InChIKey SWTYBBUBEPPYCX-VIIQGJSXSA-N
SMILES OC(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\C(C/C=C\CC)O)=O
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.
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,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637) has role human xenobiotic metabolite (CHEBI:76967)
(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637) is a hydroxydocosahexaenoic acid (CHEBI:72790)
(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637) is a secondary allylic alcohol (CHEBI:134396)
(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637) is conjugate acid of (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoate (CHEBI:140260)
Incoming (17R)-hydroxydocosahexaenoic acid (CHEBI:138598) is a (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637)
17(R)-HDoHE (CHEBI:91137) is a (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637)
17(S)-HDoHE (CHEBI:138640) is a (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637)
(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoate (CHEBI:140260) is conjugate base of (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637)
IUPAC Name
(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid
Synonyms Sources
(+/-)-17-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid LIPID MAPS
17-HDHA SUBMITTER
17-HDoHE ChEBI
17-Hydroxy-DHA HMDB
Manual Xrefs Databases
HMDB0010213 HMDB
LMFA04000032 LIPID MAPS
View more database links
Registry Numbers Types Sources
14339382 Reaxys Registry Number Reaxys
90780-52-2 CAS Registry Number HMDB
Citation Type Source
26339618 PubMed citation Europe PMC
Last Modified
16 October 2019