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CHEBI:140283 - 15-deoxy-Δ12,14-prostaglandin J3(1−)

ChEBI IDCHEBI:140283
ChEBI Name15-deoxy-Δ12,14-prostaglandin J3(1−)
Stars
ASCII Name15-deoxy-Delta(12,14)-prostaglandin J3(1-)
DefinitionA prostaglandin carboxylic acid anion that is the conjugate base of 15-deoxy-Δ12,14-prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified27 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC20H25O3
Net Charge-1
Average Mass313.417
Monoisotopic Mass313.18092
SMILESCC/C=C\C/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H26O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h3-4,6-7,9-10,13,15-17H,2,5,8,11-12,14H2,1H3,(H,22,23)/p-1/b4-3-,9-7-,10-6+,18-13+/t17-/m0/s1
InChIKeyQFTYCAAGCUOJNG-KRXWQEJVSA-M
ChEBI Ontology
Outgoing Relation(s)
15-deoxy-Δ12,14-prostaglandin J3(1−) (CHEBI:140283) is a prostaglandin carboxylic acid anion (CHEBI:59326)
15-deoxy-Δ12,14-prostaglandin J3(1−) (CHEBI:140283) is conjugate base of 15-deoxy-Δ12,14-prostaglandin J3 (CHEBI:140223)
Incoming Relation(s)
15-deoxy-Δ12,14-prostaglandin J3 (CHEBI:140223) is conjugate acid of 15-deoxy-Δ12,14-prostaglandin J3(1−) (CHEBI:140283)
IUPAC Name 
(5Z)-7-{(1S,5E)-5-[(2E,5Z)-octa-2,5-dien-1-ylidene]-4-oxocyclopent-2-en-1-yl}hept-5-enoate
Synonyms  Source
15d-PGJ3(1−)ChEBI
(5Z,12E,14E,17Z)-11-oxoprosta-5,9,12,14,17-pentaen-1-oateChEBI
15-deoxyprostaglandin J3(1−)ChEBI
15-deoxy-δ(12,14)-prostaglandin J3(1−)ChEBI