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CHEBI:138673 - (4Z,7Z,10Z,13Z,15E,17S)-17-hydroxydocosapentaenoic acid

ChEBI IDCHEBI:138673
ChEBI Name(4Z,7Z,10Z,13Z,15E,17S)-17-hydroxydocosapentaenoic acid
Stars
ASCII Name(4Z,7Z,10Z,13Z,15E,17S)-17-hydroxydocosapentaenoic acid
DefinitionA hydroxydocosapentaenoic acid that is (4Z,7Z,10Z,13Z,15E)-docosapentaenoic acid in which the hydroxy group is located at the 17S-position. The 17S-oxygenated product of ω-6-DPA which possesses anti-inflammatory activity.
Last Modified12 January 2018
SubmitterBijay
DownloadsMolfile
FormulaC22H34O3
Net Charge0
Average Mass346.511
Monoisotopic Mass346.25079
SMILESCCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H34O3/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/h5-8,11-14,16,19,21,23H,2-4,9-10,15,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,19-16+/t21-/m0/s1
InChIKeyFIGZGSKWTDIPGX-RUPKWMQGSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
(4Z,7Z,10Z,13Z,15E,17S)-17-hydroxydocosapentaenoic acid (CHEBI:138673) has role human xenobiotic metabolite (CHEBI:76967)
(4Z,7Z,10Z,13Z,15E,17S)-17-hydroxydocosapentaenoic acid (CHEBI:138673) is a hydroxydocosapentaenoic acid (CHEBI:134651)
(4Z,7Z,10Z,13Z,15E,17S)-17-hydroxydocosapentaenoic acid (CHEBI:138673) is a secondary allylic alcohol (CHEBI:134396)
IUPAC Name 
(4Z,7Z,10Z,13Z,15E,17S)-17-hydroxydocosa-4,7,10,13,15-pentaenoic acid
Synonyms  Source
17(S)-HDPAn-6SUBMITTER
17(S)-hydroxy-ω-6 docosapentaenoic acidChEBI
(17S)-hydroxy-(4Z,7Z,10Z,13Z,15E)-docosapentaenoic acidChEBI
(17S)-HDoPE(n-6)ChEBI
(17S)-HDPA(n-6)ChEBI
Citations