CHEBI:91137 - 17(R)-HDoHE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 17(R)-HDoHE
ChEBI ID CHEBI:91137
ChEBI ASCII Name 17(R)-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 17R-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000056874467
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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+/t21-/m1/s1
InChIKey SWTYBBUBEPPYCX-NGHKTGSUSA-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
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.
(via (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid )
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 17(R)-HDoHE (CHEBI:91137) has role human xenobiotic metabolite (CHEBI:76967)
17(R)-HDoHE (CHEBI:91137) has role mouse metabolite (CHEBI:75771)
17(R)-HDoHE (CHEBI:91137) is a (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637)
17(R)-HDoHE (CHEBI:91137) is conjugate acid of 17(R)-HDoHE(1−) (CHEBI:90814)
17(R)-HDoHE (CHEBI:91137) is enantiomer of 17(S)-HDoHE (CHEBI:138640)
Incoming 17(R)-HDoHE(1−) (CHEBI:90814) is conjugate base of 17(R)-HDoHE (CHEBI:91137)
17(S)-HDoHE (CHEBI:138640) is enantiomer of 17(R)-HDoHE (CHEBI:91137)
IUPAC Name
(4Z,7Z,10Z,13Z,15E,17R,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid
Synonyms Sources
(4Z,7Z,10Z,13Z,15E,17R,19Z)-17-hydroxydocosahexaenoic acid ChEBI
17R-HDHA LIPID MAPS
17R-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid LIPID MAPS
Manual Xrefs Databases
CPD-17452 MetaCyc
LMFA04000072 LIPID MAPS
View more database links
Registry Number Type Source
14339387 Reaxys Registry Number Reaxys
Citations
Last Modified
16 October 2019