EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:140226 - (7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosapentaenoic acid

ChEBI IDCHEBI:140226
ChEBI Name(7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosapentaenoic acid
Stars
ASCII Name(7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosapentaenoic acid
DefinitionA (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoic acid in which the chiral centre at position 17 has S-configuration. An intermediate of specialised proresolving mediators.
Last Modified18 February 2022
SubmitterBijay
DownloadsMolfile
FormulaC22H34O4
Net Charge0
Average Mass362.510
Monoisotopic Mass362.24571
SMILESCC/C=C\C[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCCCC(=O)O)OO
InChIInChI=1S/C22H34O4/c1-2-3-15-18-21(26-25)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(23)24/h3,5-8,11,13,15-16,19,21,25H,2,4,9-10,12,14,17-18,20H2,1H3,(H,23,24)/b7-5-,8-6-,13-11-,15-3-,19-16+/t21-/m0/s1
InChIKeyPQYYUXHETXYOCV-DKMPAXASSA-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,13Z,15E,17S,19Z)-17-hydroperoxydocosapentaenoic acid (CHEBI:140226) has functional parent (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid (CHEBI:53488)
(7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosapentaenoic acid (CHEBI:140226) has role human xenobiotic metabolite (CHEBI:76967)
(7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosapentaenoic acid (CHEBI:140226) is a (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoic acid (CHEBI:136352)
(7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosapentaenoic acid (CHEBI:140226) is conjugate acid of (7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosapentaenoate (CHEBI:140291)
Incoming Relation(s)
(7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosapentaenoate (CHEBI:140291) is conjugate base of (7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosapentaenoic acid (CHEBI:140226)
IUPAC Name 
(7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosa-7,10,13,15,19-pentaenoic acid
Synonyms  Source
17(S)-Hp-DPA(n−3)SUBMITTER
17(S)-HpDoPE(n−3)ChEBI
17(S)-hydroperoxy-ω−3-docosapentaenoic acidChEBI
Citations