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CHEBI:140222 - (7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosapentaenoic acid

ChEBI IDCHEBI:140222
ChEBI Name(7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosapentaenoic acid
Stars
ASCII Name(7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosapentaenoic acid
DefinitionA (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoic acid in which the chiral centre at position 14 has S-configuration. An intermediate of specialised proresolving mediators.
Last Modified27 February 2018
SubmitterBijay
DownloadsMolfile
FormulaC22H34O4
Net Charge0
Average Mass362.510
Monoisotopic Mass362.24571
SMILESCC/C=C\C/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCCCC(=O)O)OO
InChIInChI=1S/C22H34O4/c1-2-3-4-5-12-15-18-21(26-25)19-16-13-10-8-6-7-9-11-14-17-20-22(23)24/h3-4,6-7,10,12-13,15-16,19,21,25H,2,5,8-9,11,14,17-18,20H2,1H3,(H,23,24)/b4-3-,7-6-,13-10-,15-12-,19-16+/t21-/m0/s1
InChIKeyXHMXFEYXNLBDKE-FRAVRKMPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (23736886)
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)
(7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosapentaenoic acid (CHEBI:140222) has role human xenobiotic metabolite (CHEBI:76967)
(7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosapentaenoic acid (CHEBI:140222) is a (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoic acid (CHEBI:136353)
(7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosapentaenoic acid (CHEBI:140222) is conjugate acid of (7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosapentaenoate (CHEBI:140289)
Incoming Relation(s)
(7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosapentaenoate (CHEBI:140289) is conjugate base of (7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosapentaenoic acid (CHEBI:140222)
IUPAC Name 
(7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosa-7,10,12,16,19-pentaenoic acid
Synonyms  Source
14(S)-HpDPA(n-3)SUBMITTER
14(S)-hydroperoxy-ω−3-docosapentaenoic acidChEBI
14(S)-HpDPAn-3ChEBI
(14S)-hydroperoxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acidChEBI
14(S)-HPDoPE(n−3)ChEBI
Citations