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CHEBI:72603 - 13,14-dihydro-15-ketoprostaglandin D2

ChEBI IDCHEBI:72603
ChEBI Name13,14-dihydro-15-ketoprostaglandin D2
Stars
ASCII Name13,14-dihydro-15-ketoprostaglandin D2
DefinitionA prostaglandin D that is prostaglandin D2 with a keto substituent replacing a hydroxy at position 15.
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
SMILESCCCCCC(=O)CC[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-18,22H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+/m1/s1
InChIKeyVSRXYLYXIXYEST-KZTWKYQFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (20671299)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
13,14-dihydro-15-ketoprostaglandin D2 (CHEBI:72603) has functional parent prostaglandin D2 (CHEBI:15555)
13,14-dihydro-15-ketoprostaglandin D2 (CHEBI:72603) has role metabolite (CHEBI:25212)
13,14-dihydro-15-ketoprostaglandin D2 (CHEBI:72603) is a prostaglandins D (CHEBI:26337)
IUPAC Name 
(5Z,9α)-9-hydroxy-11,15-dioxoprost-5-en-1-oic acid
Synonyms  Source
13,14dh,15k-PGD2ChEBI
11,15-dioxo-9S-hydroxy-5Z-prostenoic acidLIPID MAPS
13,14-dihydro-15-keto-PGD2LIPID MAPS
dhk-PGD2LIPID MAPS
(Z)-7-[(1R,2R,5S)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acidHMDB
(5Z)-7-[(1R,2R,5S)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acidHMDB
Manual XrefsDatabases
LMFA03010022LIPID MAPS
HMDB0060042HMDB
Registry NumbersSources
Reaxys:3004662Reaxys
CAS:59894-07-4ChemIDplus
Citations