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CHEBI:87821 - 17-phenyl-18,19,20-trinor-prostaglandin D2

ChEBI IDCHEBI:87821
ChEBI Name17-phenyl-18,19,20-trinor-prostaglandin D2
Stars
ASCII Name17-phenyl-18,19,20-trinor-prostaglandin D2
DefinitionA prostanoid that is 18,19,20-trinor-prostaglandin D2 in which one of the terminal methyl hydrogens has been replaced by a phenyl group.
Last Modified22 January 2016
Submittermwilliams
DownloadsMolfile
FormulaC23H30O5
Net Charge0
Average Mass386.488
Monoisotopic Mass386.20932
SMILESO=C(O)CCC/C=C\C[C@H]1[C@@H](O)CC(=O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1
InChIInChI=1S/C23H30O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-21,24-25H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,21-/m0/s1
InChIKeyOAQGPAZDRCBBLD-YTCWWFNZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- MetaboLights (MTBLS124)
- MetaboLights (MTBLS93)
- PubMed (25502724)
- MetaboLights (MTBLS90)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
17-phenyl-18,19,20-trinor-prostaglandin D2 (CHEBI:87821) has role human metabolite (CHEBI:77746)
17-phenyl-18,19,20-trinor-prostaglandin D2 (CHEBI:87821) is a alicyclic ketone (CHEBI:36132)
17-phenyl-18,19,20-trinor-prostaglandin D2 (CHEBI:87821) is a hydroxy monocarboxylic acid (CHEBI:35868)
17-phenyl-18,19,20-trinor-prostaglandin D2 (CHEBI:87821) is a olefinic compound (CHEBI:78840)
17-phenyl-18,19,20-trinor-prostaglandin D2 (CHEBI:87821) is a oxo monocarboxylic acid (CHEBI:35871)
17-phenyl-18,19,20-trinor-prostaglandin D2 (CHEBI:87821) is a prostanoid (CHEBI:26347)
17-phenyl-18,19,20-trinor-prostaglandin D2 (CHEBI:87821) is a secondary alcohol (CHEBI:35681)
17-phenyl-18,19,20-trinor-prostaglandin D2 (CHEBI:87821) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
(5Z)-7-{(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]-3-oxocyclopentyl}hept-5-enoic acid
Synonyms  Source
17-phenyltrinor-prostaglandin D2ChEBI
17-phenyl-ω-trinor-prostaglandin D2ChEBI
17-phenyltrinor-PGD2ChEBI
17-phenyl-18,19,20-trinor-PGD2ChEBI
17-phenyl-ω-trinor-PGD2ChEBI
7-(5-Hydroxy-2-(3-hydroxy-5-phenyl-1-octenyl)-3-oxocyclopentyl)-5-heptenoic acidChemIDplus
Registry NumbersSources
Reaxys:6000594Reaxys
CAS:85280-91-7ChemIDplus