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

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ChEBI Name 13,14-dihydro-Δ12-prostaglandin J2(1−)
ChEBI ID CHEBI:133424
ChEBI ASCII Name 13,14-dihydro-Delta(12)-prostaglandin J2(1-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
Supplier Information
Download Molfile XML SDF
Formula C20H29O4
Net Charge -1
Average Mass 333.443
Monoisotopic Mass 333.20713
InChI InChI=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
InChIKey TUXFWOHFPFBNEJ-GJGHEGAFSA-M
SMILES C1=CC(/C(/[C@H]1C/C=C\CCCC([O-])=O)=C/C[C@H](CCCCC)O)=O
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
13,14-dihydro-Δ12-PGJ2(1−) ChEBI
Δ12-prostaglandin J2 UniProt
Last Modified
16 June 2017