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CHEBI:140218 - (4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosapentaenoic acid

ChEBI IDCHEBI:140218
ChEBI Name(4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosapentaenoic acid
Stars
ASCII Name(4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosapentaenoic acid
DefinitionA hydroxydocosapentaenoic acid that is (4Z,7Z,10Z,12E,16Z)-docosapentaenoic acid in which the hydroxy group is located at the 14S-position. An intermediate of specialised proresolving mediators
Last Modified23 February 2018
SubmitterBijay
DownloadsMolfile
FormulaC22H34O3
Net Charge0
Average Mass346.511
Monoisotopic Mass346.25079
SMILESCCCCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H34O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(24)25/h6-7,10-16,19,21,23H,2-5,8-9,17-18,20H2,1H3,(H,24,25)/b7-6-,13-10-,14-11-,15-12-,19-16+/t21-/m0/s1
InChIKeyQLXUWTYTRCCZFU-DSTOTDLSSA-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,12E,14S,16Z)-14-hydroxydocosapentaenoic acid (CHEBI:140218) has functional parent (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid (CHEBI:65136)
(4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosapentaenoic acid (CHEBI:140218) has role human xenobiotic metabolite (CHEBI:76967)
(4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosapentaenoic acid (CHEBI:140218) is a hydroxydocosapentaenoic acid (CHEBI:134651)
(4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosapentaenoic acid (CHEBI:140218) is a secondary allylic alcohol (CHEBI:134396)
(4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosapentaenoic acid (CHEBI:140218) is conjugate acid of (4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosapentaenoate (CHEBI:140251)
Incoming Relation(s)
(4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosapentaenoate (CHEBI:140251) is conjugate base of (4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosapentaenoic acid (CHEBI:140218)
IUPAC Name 
(4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosa-4,7,10,12,16-pentaenoic acid
Synonyms  Source
14(S)-HDPAn-6SUBMITTER
14(S)-hydroxy-ω-6-docosapentaenoic acidChEBI
14(S)-HDoPEn-6ChEBI
(14S)-hydroxy-(4Z,7Z,10Z,12E,16Z)-docosapentaenoic acidChEBI