CHEBI:138640 - 17(S)-HDoHE

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ChEBI Name 17(S)-HDoHE
ChEBI ID CHEBI:138640
ChEBI ASCII Name 17(S)-HDoHE
Definition A polyunsaturated fatty acid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosa-4,7,10,13,15,19-hexaenoic acid carrying a hydroxy substituent at the 17S-position. It is a metabolite of docosahexaenoic acid in human blood and mouse brain, and serves as a precursor to 17(S)-resolvins.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information ZINC000030729497
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Formula C22H32O3
Net Charge 0
Average Mass 344.495
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+/t21-/m0/s1
InChIKey SWTYBBUBEPPYCX-YTQNUIGOSA-N
SMILES C(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](C/C=C\CC)O)(=O)O
Metabolite of Species Details
Bovinae (NCBI:txid27592) See: PubMed
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). 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): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
(via (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid )
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 17(S)-HDoHE (CHEBI:138640) has role animal metabolite (CHEBI:75767)
17(S)-HDoHE (CHEBI:138640) has role human xenobiotic metabolite (CHEBI:76967)
17(S)-HDoHE (CHEBI:138640) has role mouse metabolite (CHEBI:75771)
17(S)-HDoHE (CHEBI:138640) is a (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637)
17(S)-HDoHE (CHEBI:138640) is enantiomer of 17(R)-HDoHE (CHEBI:91137)
Incoming 17(R)-HDoHE (CHEBI:91137) is enantiomer of 17(S)-HDoHE (CHEBI:138640)
IUPAC Name
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid
Synonyms Sources
(17S)-hydroxydocosahexaenoic acid ChEBI
17S-HDHA LIPID MAPS
17S-hydroxy DHA ChEBI
17S-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid LIPID MAPS
Manual Xrefs Databases
CPD-17450 MetaCyc
LMFA04000012 LIPID MAPS
View more database links
Registry Number Type Source
92693-03-3 CAS Registry Number ChEBI
Citations Types Sources
12590139 PubMed citation Europe PMC
19679107 PubMed citation Europe PMC
21156816 PubMed citation Europe PMC
22912397 PubMed citation Europe PMC
28404641 PubMed citation Europe PMC
29597117 PubMed citation Europe PMC
Last Modified
16 October 2019