CHEBI:140274 - Δ12-prostaglandin J3

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Download Molfile XML SDF
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 Waiting for 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