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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 No supplier information found for this compound.
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