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

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ChEBI Name 15-deoxy-Δ12,14-prostaglandin A2
ChEBI ID CHEBI:63975
ChEBI ASCII Name 15-deoxy-Delta(12,14)-prostaglandin A2
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C20H28O3
Net Charge 0
Average Mass 316.43450
Monoisotopic Mass 316.20384
InChI InChI=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
InChIKey BHHHGDAJJMEHST-NBIYZLHXSA-N
SMILES CCCCC\C=C\C=C1\C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Sources
15-deoxy-δ-12,14-PGA2 LIPID MAPS
15-deoxy-PGA2 SUBMITTER
15-deoxyprostaglandin A2 ChEBI
15d-PGA2 SUBMITTER
15d-prostaglandin A2 ChEBI
9-oxo-5Z,10,12Z,14E-prostatetraenoic acid LIPID MAPS
Manual Xref Database
LMFA03010172 LIPID MAPS
View more database links
Registry Number Type Source
2661205 Reaxys Registry Number Reaxys
Last Modified
23 February 2012