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CHEBI:140288 - Δ12-prostaglandin J3(1−)

ChEBI IDCHEBI:140288
ChEBI NameΔ12-prostaglandin J3(1−)
Stars
ASCII NameDelta(12)-prostaglandin J3(1-)
DefinitionA prostaglandin carboxylic acid anion that is the conjugate base of Δ12-prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified27 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC20H27O4
Net Charge-1
Average Mass331.432
Monoisotopic Mass331.19148
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)/p-1/b6-3-,7-4-,18-14+/t16-,17-/m0/s1
InChIKeyMSLYURLMFHGOET-OLBAJUCDSA-M
ChEBI Ontology
Outgoing Relation(s)
Δ12-prostaglandin J3(1−) (CHEBI:140288) is a prostaglandin carboxylic acid anion (CHEBI:59326)
Δ12-prostaglandin J3(1−) (CHEBI:140288) is conjugate base of Δ12-prostaglandin J3 (CHEBI:140274)
Incoming Relation(s)
Δ12-prostaglandin J3 (CHEBI:140274) is conjugate acid of Δ12-prostaglandin J3(1−) (CHEBI:140288)
IUPAC Name 
(5Z)-7-{(1S,5E)-5-[(3S,5Z)-3-hydroxyoct-5-en-1-ylidene]-4-oxocyclopent-2-en-1-yl}hept-5-enoate
Synonyms  Source
delta-12-PGJ3(1−)ChEBI
δ(12)-PGJ3(1−)ChEBI
δ(12)-prostaglandin J3(1−)ChEBI
(5Z,9Z,12E,15S,17Z)-15-hydroxy-11-oxoprostatetraenoateChEBI
Δ(12)-prostaglandin J3(1−)ChEBI