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CHEBI:87820 - 17-phenyl-18,19,20-trinor-prostaglandin E2

ChEBI IDCHEBI:87820
ChEBI Name17-phenyl-18,19,20-trinor-prostaglandin E2
Stars
ASCII Name17-phenyl-18,19,20-trinor-prostaglandin E2
DefinitionA prostanoid that is 18,19,20-trinor-prostaglandin E2 in which one of the terminal methyl hydrogens has been replaced by a phenyl group.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]1C(=O)C[C@@H](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/h1,3-6,8-9,14-15,18-20,22,24,26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,22+/m0/s1
InChIKeyFOBVMYJQWZOGGJ-XYRJXBATSA-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 Roles:
prostaglandin receptor agonist  An agonist that binds to and activates prostaglandin receptors.
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 E2 (CHEBI:87820) has role human metabolite (CHEBI:77746)
17-phenyl-18,19,20-trinor-prostaglandin E2 (CHEBI:87820) has role prostaglandin receptor agonist (CHEBI:66900)
17-phenyl-18,19,20-trinor-prostaglandin E2 (CHEBI:87820) is a alicyclic ketone (CHEBI:36132)
17-phenyl-18,19,20-trinor-prostaglandin E2 (CHEBI:87820) is a hydroxy monocarboxylic acid (CHEBI:35868)
17-phenyl-18,19,20-trinor-prostaglandin E2 (CHEBI:87820) is a olefinic compound (CHEBI:78840)
17-phenyl-18,19,20-trinor-prostaglandin E2 (CHEBI:87820) is a oxo monocarboxylic acid (CHEBI:35871)
17-phenyl-18,19,20-trinor-prostaglandin E2 (CHEBI:87820) is a prostanoid (CHEBI:26347)
17-phenyl-18,19,20-trinor-prostaglandin E2 (CHEBI:87820) is a secondary alcohol (CHEBI:35681)
17-phenyl-18,19,20-trinor-prostaglandin E2 (CHEBI:87820) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
(5Z)-7-{(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]-5-oxocyclopentyl}hept-5-enoic acid
Synonyms  Source
17-phenyl-ω-trinor-PGE2ChEBI
CL 116147ChEBI
17-phenyltrinor-PGE2ChEBI
17-phenyl-18,19,20-trinor-PGE2ChEBI
17-phenyl-ω-trinor-prostaglandin E2ChEBI
17-phenyltrinor-prostaglandin E2ChEBI
Registry NumbersSources
Reaxys:5770145Reaxys
Citations