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CHEBI:133424 - 13,14-dihydro-Δ12-prostaglandin J2(1−)

ChEBI IDCHEBI:133424
ChEBI Name13,14-dihydro-Δ12-prostaglandin J2(1−)
Stars
ASCII Name13,14-dihydro-Delta(12)-prostaglandin J2(1-)
DefinitionA prostaglandin carboxylic acid anion that is the conjugate base of 13,14-dihydro-Δ12-prostaglandin J2, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified16 June 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC20H29O4
Net Charge-1
Average Mass333.448
Monoisotopic Mass333.20713
SMILESCCCCC[C@H](O)C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H30O4/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/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/p-1/b7-4-,18-14+/t16-,17-/m0/s1
InChIKeyTUXFWOHFPFBNEJ-GJGHEGAFSA-M
ChEBI Ontology
Outgoing Relation(s)
13,14-dihydro-Δ12-prostaglandin J2(1−) (CHEBI:133424) is a prostaglandin carboxylic acid anion (CHEBI:59326)
13,14-dihydro-Δ12-prostaglandin J2(1−) (CHEBI:133424) is conjugate base of 13,14-dihydro-Δ12-prostaglandin J2 (CHEBI:28130)
Incoming Relation(s)
13,14-dihydro-Δ12-prostaglandin J2 (CHEBI:28130) is conjugate acid of 13,14-dihydro-Δ12-prostaglandin J2(1−) (CHEBI:133424)
IUPAC Name 
(5Z,12E,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oate
Synonym  Source
13,14-dihydro-Δ12-PGJ2(1−)ChEBI
UniProt Name  Source
Δ12-prostaglandin J2UniProt