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CHEBI:140223 - 15-deoxy-Δ12,14-prostaglandin J3

ChEBI IDCHEBI:140223
ChEBI Name15-deoxy-Δ12,14-prostaglandin J3
Stars
ASCII Name15-deoxy-Delta(12,14)-prostaglandin J3
DefinitionA prostaglandin J derivative comprising prostaglandin J3 lacking the 15-hydroxy group and having C=C double bonds at the 12- and 14-positions. An intermediate of specialised proresolving mediators
Last Modified27 February 2018
SubmitterBijay
DownloadsMolfile
FormulaC20H26O3
Net Charge0
Average Mass314.425
Monoisotopic Mass314.18819
SMILESCC/C=C\C/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C20H26O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h3-4,6-7,9-10,13,15-17H,2,5,8,11-12,14H2,1H3,(H,22,23)/b4-3-,9-7-,10-6+,18-13+/t17-/m0/s1
InChIKeyQFTYCAAGCUOJNG-KRXWQEJVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (23734181)
Homo sapiens (ncbitaxon:9606) - PubMed (26339618)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
15-deoxy-Δ12,14-prostaglandin J3 (CHEBI:140223) has role human xenobiotic metabolite (CHEBI:76967)
15-deoxy-Δ12,14-prostaglandin J3 (CHEBI:140223) has role mouse metabolite (CHEBI:75771)
15-deoxy-Δ12,14-prostaglandin J3 (CHEBI:140223) is a prostaglandins J (CHEBI:26346)
15-deoxy-Δ12,14-prostaglandin J3 (CHEBI:140223) is conjugate acid of 15-deoxy-Δ12,14-prostaglandin J3(1−) (CHEBI:140283)
Incoming Relation(s)
15-deoxy-Δ12,14-prostaglandin J3(1−) (CHEBI:140283) is conjugate base of 15-deoxy-Δ12,14-prostaglandin J3 (CHEBI:140223)
IUPAC Name 
(5Z)-7-{(1S,5E)-5-[(2E,5Z)-octa-2,5-dien-1-ylidene]-4-oxocyclopent-2-en-1-yl}hept-5-enoic acid
Synonyms  Source
15d-PGJ3SUBMITTER
15-deoxyprostaglandin J3ChEBI
15-deoxy-δ(12,14)-prostaglandin J3ChEBI
(5Z,12E,14E,17Z)-11-oxoprosta-5,9,12,14,17-pentaen-1-oic acidChEBI
Registry NumbersSources
Reaxys:29567714Reaxys
Citations