CHEBI:63999 - 15-deoxy-Δ12,14-prostaglandin D2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 15-deoxy-Δ12,14-prostaglandin D2
ChEBI ID CHEBI:63999
ChEBI ASCII Name 15-deoxy-Delta(12,14)-prostaglandin D2
Definition A prostaglandin D derivative that is prostaglandin D2 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 ChemicalBook:CB9145711, eMolecules:486682, ZINC000000896729
Download Molfile XML SDF
Formula C20H30O3
Net Charge 0
Average Mass 318.45040
Monoisotopic Mass 318.21949
InChI InChI=1S/C20H30O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)23/h6-7,9-10,12,15-16,18-19,21H,2-5,8,11,13-14H2,1H3,(H,22,23)/b9-6+,10-7-,17-12-/t18-,19+/m1/s1
InChIKey WPAYHTRLEHKDHP-UBEAGDKLSA-N
SMILES CCCCC\C=C\C=C1\C=C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
ChEBI Ontology
Outgoing 15-deoxy-Δ12,14-prostaglandin D2 (CHEBI:63999) has functional parent prostaglandin D2 (CHEBI:15555)
15-deoxy-Δ12,14-prostaglandin D2 (CHEBI:63999) is a prostaglandins D (CHEBI:26337)
IUPAC Name
(5Z,9α,12Z,14E)-9-hydroxyprosta-5,10,12,14-tetraen-1-oic acid
Synonyms Sources
15-deoxy-δ-12,14-PGD2 LIPID MAPS
15-deoxy-δ-12,14-prostaglandin D2 LIPID MAPS
15d-PGD2 SUBMITTER
9S-hydroxy-11-oxo-5Z,12E,14E-prostatrienoic acid LIPID MAPS
Manual Xref Database
LMFA03010051 LIPID MAPS
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Last Modified
23 October 2015