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CHEBI:140274 - Δ12-prostaglandin J3

ChEBI IDCHEBI:140274
ChEBI NameΔ12-prostaglandin J3
Stars
ASCII NameDelta(12)-prostaglandin J3
DefinitionA member of the class of prostaglandins J that is (5Z,9Z,12E,17Z)-prostatetraenoic acid carrying hydroxy and oxo substituents at positions 11 and 15 respectively. An intermediate of specialised proresolving mediators and potent anti-leukemic agent.
Last Modified27 February 2018
SubmitterBijay
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCC/C=C\C[C@H](O)C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C20H28O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h3-4,6-7,12,14-17,21H,2,5,8-11,13H2,1H3,(H,23,24)/b6-3-,7-4-,18-14+/t16-,17-/m0/s1
InChIKeyMSLYURLMFHGOET-OLBAJUCDSA-N
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
Δ12-prostaglandin J3 (CHEBI:140274) has functional parent prostaglandin J3 (CHEBI:140267)
Δ12-prostaglandin J3 (CHEBI:140274) has role antineoplastic agent (CHEBI:35610)
Δ12-prostaglandin J3 (CHEBI:140274) has role human xenobiotic metabolite (CHEBI:76967)
Δ12-prostaglandin J3 (CHEBI:140274) is a homoallylic alcohol (CHEBI:134362)
Δ12-prostaglandin J3 (CHEBI:140274) is a prostaglandins J (CHEBI:26346)
Δ12-prostaglandin J3 (CHEBI:140274) is conjugate acid of Δ12-prostaglandin J3(1−) (CHEBI:140288)
Incoming Relation(s)
Δ12-prostaglandin J3(1−) (CHEBI:140288) is conjugate base of Δ12-prostaglandin J3 (CHEBI:140274)
IUPAC Name 
(5Z)-7-{(1S,5E)-5-[(3S,5Z)-3-hydroxyoct-5-en-1-ylidene]-4-oxocyclopent-2-en-1-yl}hept-5-enoic acid
Synonyms  Source
delta-12-PGJ3SUBMITTER
δ(12)-prostaglandin J3ChEBI
Δ(12)-prostaglandin J3ChEBI
δ(12)-PGJ3ChEBI
(5Z,9Z,12E,15S,17Z)-15-hydroxy-11-oxoprostatetraenoic acidChEBI
Registry NumbersSources
Reaxys:29567731Reaxys
Citations