EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:85236
ChEBI Name15-deoxy-Δ12,14-prostaglandin J2(1−)
Stars
ASCII Name15-deoxy-Delta(12,14)-prostaglandin J2(1-)
DefinitionA 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.
Last Modified14 June 2018
Submitternhn
DownloadsMolfile
FormulaC20H27O3
Net Charge-1
Average Mass315.433
Monoisotopic Mass315.19657
SMILESCCCCC/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-]
InChIInChI=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
InChIKeyVHRUMKCAEVRUBK-GODQJPCRSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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-S-glutathione conjugate(2−) (CHEBI:194498) 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
Synonym  Source
11-oxo-5Z,9,12E,14E-prostatetraenoate(1−)SUBMITTER
UniProt Name  Source
15-deoxy-Δ12,14-prostaglandin J2UniProt
Citations