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CHEBI:140267 - prostaglandin J3

ChEBI IDCHEBI:140267
ChEBI Nameprostaglandin J3
Stars
ASCII Nameprostaglandin J3
DefinitionA member of the class of prostaglandins J that is (5Z,9Z,13E,17Z)-prostatetraenoic acid carrying hydroxy and oxo substituents at positions 11 and 15 respectively. An intermediate of specialised proresolving mediators
Last Modified27 February 2018
SubmitterBijay
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCC/C=C\C[C@H](O)/C=C/[C@H]1C(=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/h3-4,6-7,12-18,21H,2,5,8-11H2,1H3,(H,23,24)/b6-3-,7-4-,14-13+/t16-,17-,18+/m0/s1
InChIKeyDIBKBAMSPPKSTJ-BAILPSPNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (22442337)
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)
prostaglandin J3 (CHEBI:140267) has role antineoplastic agent (CHEBI:35610)
prostaglandin J3 (CHEBI:140267) has role human xenobiotic metabolite (CHEBI:76967)
prostaglandin J3 (CHEBI:140267) is a prostaglandins J (CHEBI:26346)
prostaglandin J3 (CHEBI:140267) is a secondary allylic alcohol (CHEBI:134396)
prostaglandin J3 (CHEBI:140267) is conjugate acid of prostaglandin J3(1−) (CHEBI:140285)
Incoming Relation(s)
Δ12-prostaglandin J3 (CHEBI:140274) has functional parent prostaglandin J3 (CHEBI:140267)
prostaglandin J3(1−) (CHEBI:140285) is conjugate base of prostaglandin J3 (CHEBI:140267)
IUPAC Name 
(5Z)-7-{(1S,5R)-5-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-4-oxocyclopent-2-en-1-yl}hept-5-enoic acid
Synonyms  Source
PGJ3SUBMITTER
15S-hydroxy-11-oxo-5Z,9Z,13E,17Z-prostatetraenoic acidLIPID MAPS
(5Z,9Z,13E,15S,17Z)-15-hydroxy-11-oxoprostatetraenoic acidChEBI
Manual XrefsDatabases
16061112PubChem Compound
LMFA03010180LIPID MAPS
Citations