CHEBI:85236 - 15-deoxy-Δ12,14-prostaglandin J2(1−)

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ChEBI Name 15-deoxy-Δ12,14-prostaglandin J2(1−)
ChEBI ID CHEBI:85236
ChEBI ASCII Name 15-deoxy-Delta(12,14)-prostaglandin J2(1-)
Definition A prostaglandin carboxylic acid anion that is the conjugate base of 15-deoxy-Δ12,14-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 Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C20H27O3
Net Charge -1
Average Mass 315.42710
Monoisotopic Mass 315.19657
InChI InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/p-1/b9-7-,10-6+,18-13+/t17-/m0/s1
InChIKey VHRUMKCAEVRUBK-GODQJPCRSA-M
SMILES CCCCC\C=C\C=C1/[C@@H](C\C=C/CCCC([O-])=O)C=CC1=O
ChEBI Ontology
Outgoing 15-deoxy-Δ12,14-prostaglandin J2(1−) (CHEBI:85236) is a prostaglandin carboxylic acid anion (CHEBI:59326)
15-deoxy-Δ12,14-prostaglandin J2(1−) (CHEBI:85236) is conjugate base of 15-deoxy-Δ12,14-prostaglandin J2 (CHEBI:34159)
Incoming 15-deoxy-Δ12,14-prostaglandin J2-S-glutathione conjugate(2−) (CHEBI:194498) has functional parent 15-deoxy-Δ12,14-prostaglandin J2(1−) (CHEBI:85236)
S-(15-deoxy-Δ12,14-prostaglandin J2-9-yl)cysteine residue(1−) (CHEBI:143698) has functional parent 15-deoxy-Δ12,14-prostaglandin J2(1−) (CHEBI:85236)
15-deoxy-Δ12,14-prostaglandin J2 (CHEBI:34159) is conjugate acid of 15-deoxy-Δ12,14-prostaglandin J2(1−) (CHEBI:85236)
IUPAC Name
(5Z,12E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oate
Synonyms Sources
11-oxo-5Z,9,12E,14E-prostatetraenoate(1−) SUBMITTER
15-deoxy-Δ12,14-prostaglandin J2 UniProt
Citations Waiting for Citations Types Sources
10200320 PubMed citation SUBMITTER
11786541 PubMed citation SUBMITTER
Last Modified
14 June 2018