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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 15-deoxy-Δ12,14-prostaglandin J3
ChEBI ID CHEBI:140223
ChEBI ASCII Name 15-deoxy-Delta(12,14)-prostaglandin J3
Definition A 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
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information ZINC000030729497
Download Molfile XML SDF
Formula C20H26O3
Net Charge 0
Average Mass 314.419
Monoisotopic Mass 314.18819
InChI InChI=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
InChIKey QFTYCAAGCUOJNG-KRXWQEJVSA-N
SMILES C(CCC(O)=O)/C=C\C[C@@H]1\C(\C(C=C1)=O)=C/C=C/C/C=C\CC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: PubMed
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(5Z,12E,14E,17Z)-11-oxoprosta-5,9,12,14,17-pentaen-1-oic acid ChEBI
15-deoxy-δ(12,14)-prostaglandin J3 ChEBI
15-deoxyprostaglandin J3 ChEBI
15d-PGJ3 SUBMITTER
Registry Number Type Source
29567714 Reaxys Registry Number Reaxys
Citations Types Sources
21967980 PubMed citation Europe PMC
23734181 PubMed citation Europe PMC
26339618 PubMed citation Europe PMC
Last Modified
27 February 2018