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

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ChEBI Name Δ12-prostaglandin J3(1−)
ChEBI ID CHEBI:140288
ChEBI ASCII Name Delta(12)-prostaglandin J3(1-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H27O4
Net Charge -1
Average Mass 331.427
Monoisotopic Mass 331.19148
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)/p-1/b6-3-,7-4-,18-14+/t16-,17-/m0/s1
InChIKey MSLYURLMFHGOET-OLBAJUCDSA-M
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
ChEBI Ontology
Outgoing 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 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 Sources
(5Z,9Z,12E,15S,17Z)-15-hydroxy-11-oxoprostatetraenoate ChEBI
δ(12)-PGJ3(1−) ChEBI
δ(12)-prostaglandin J3(1−) ChEBI
Δ(12)-prostaglandin J3(1−) ChEBI
delta-12-PGJ3(1−) ChEBI
Last Modified
27 February 2018