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CHEBI:63975 - 15-deoxy-Δ12,14-prostaglandin A2

ChEBI IDCHEBI:63975
ChEBI Name15-deoxy-Δ12,14-prostaglandin A2
Stars
ASCII Name15-deoxy-Delta(12,14)-prostaglandin A2
DefinitionA prostaglandin A derivative that is prostaglandin A2 lacking the 15-hydroxy group and having C=C double bonds at positions 12(13) and 14(15).
Last Modified23 February 2012
Submittermwilliams
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILESCCCCC/C=C/C=C1/C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C20H28O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)23/h6-7,9-10,12,15-16,18H,2-5,8,11,13-14H2,1H3,(H,22,23)/b9-6+,10-7-,17-12-/t18-/m1/s1
InChIKeyBHHHGDAJJMEHST-NBIYZLHXSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
15-deoxy-Δ12,14-prostaglandin A2 (CHEBI:63975) has functional parent prostaglandin A2 (CHEBI:27820)
15-deoxy-Δ12,14-prostaglandin A2 (CHEBI:63975) is a cyclic ketone (CHEBI:3992)
15-deoxy-Δ12,14-prostaglandin A2 (CHEBI:63975) is a oxo monocarboxylic acid (CHEBI:35871)
15-deoxy-Δ12,14-prostaglandin A2 (CHEBI:63975) is a prostaglandins A (CHEBI:26334)
IUPAC Name 
(5Z,12Z,14E)-9-oxoprosta-5,10,12,14-tetraen-1-oic acid
Synonyms  Source
15d-PGA2SUBMITTER
15-deoxy-PGA2SUBMITTER
15d-prostaglandin A2ChEBI
9-oxo-5Z,10,12Z,14E-prostatetraenoic acidLIPID MAPS
15-deoxy-δ-12,14-PGA2LIPID MAPS
15-deoxyprostaglandin A2ChEBI
Manual XrefsDatabases
LMFA03010172LIPID MAPS
Registry NumbersSources
Reaxys:2661205Reaxys