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CHEBI:138640 - 17(S)-HDoHE

ChEBI IDCHEBI:138640
ChEBI Name17(S)-HDoHE
Stars
ASCII Name17(S)-HDoHE
DefinitionA 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.
Last Modified16 October 2019
SubmitterBijay
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=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
InChIKeySWTYBBUBEPPYCX-YTQNUIGOSA-N
Species of MetaboliteComponentSourceComments
Bovinae (ncbitaxon:27592) - PubMed (21156816)
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (22912397)
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).
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:
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.
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.
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)
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 Relation(s)
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  Source
17S-HDHALIPID MAPS
17S-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acidLIPID MAPS
(17S)-hydroxydocosahexaenoic acidChEBI
17S-hydroxy DHAChEBI
Manual XrefsDatabases
LMFA04000012LIPID MAPS
CPD-17450MetaCyc
Registry NumbersSources
CAS:92693-03-3ChEBI
Citations