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

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ChEBI Name 13,14-dihydro-15-ketoprostaglandin D2
ChEBI ID CHEBI:72603
ChEBI ASCII Name 13,14-dihydro-15-ketoprostaglandin D2
Definition A prostaglandin D that is prostaglandin D2 with a keto substituent replacing a hydroxy at position 15.
Stars This entity has been manually annotated by a third party.
Supplier Information ChemicalBook:CB3746093, eMolecules:496404, eMolecules:1971016, eMolecules:7351983, ZINC000000895210
Download Molfile XML SDF
Formula C20H32O5
Net Charge 0
Average Mass 352.46510
Monoisotopic Mass 352.22497
InChI InChI=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
InChIKey VSRXYLYXIXYEST-KZTWKYQFSA-N
SMILES CCCCCC(=O)CC[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(5Z)-7-[(1R,2R,5S)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid HMDB
(5Z,9alpha)-9-Hydroxy-11,15-dioxoprost-5-en-1-oic acid HMDB
(Z)-7-[(1R,2R,5S)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid HMDB
11,15-dioxo-9S-hydroxy-5Z-prostenoic acid LIPID MAPS
13,14-dihydro-15-keto-PGD2 LIPID MAPS
13,14dh,15k-PGD2 ChEBI
dhk-PGD2 LIPID MAPS
Manual Xrefs Databases
HMDB0060042 HMDB
LMFA03010022 LIPID MAPS
View more database links
Registry Numbers Types Sources
3004662 Reaxys Registry Number Reaxys
59894-07-4 CAS Registry Number ChemIDplus
Citation Type Source
20671299 PubMed citation Europe PMC
Last Modified
23 October 2015