CHEBI:140274 - Δ¹²-prostaglandin J₃

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ChEBI Name Δ12-prostaglandin J3 ChEBI ID CHEBI:140274 ChEBI ASCII Name Delta(12)-prostaglandin J3 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Bijay Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H28O4 Net Charge 0 Average Mass 332.435 Monoisotopic Mass 332.19876 InChI InChI=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 InChIKey MSLYURLMFHGOET-OLBAJUCDSA-N SMILES C(CCC(O)=O)/C=C\C[C@@H]1/C(/C(C=C1)=O)=C\C[C@H](C/C=C\CC)O Roles Classification Biological Role(s): human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Sources (5Z,9Z,12E,15S,17Z)-15-hydroxy-11-oxoprostatetraenoic acid ChEBI δ(12)-PGJ3 ChEBI Δ(12)-prostaglandin J3 ChEBI δ(12)-prostaglandin J3 ChEBI delta-12-PGJ3 SUBMITTER Registry Number Type Source 29567731 Reaxys Registry Number Reaxys Citations Types Sources 21967980 PubMed citation Europe PMC 22194393 PubMed citation Europe PMC 22442337 PubMed citation Europe PMC 24312486 PubMed citation Europe PMC 25098181 PubMed citation Europe PMC 26290393 PubMed citation Europe PMC 26339618 PubMed citation Europe PMC 27187634 PubMed citation Europe PMC Last Modified 27 February 2018