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

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ChEBI Name 17-phenyl-18,19,20-trinor-prostaglandin D2
ChEBI ID CHEBI:87821
ChEBI ASCII Name 17-phenyl-18,19,20-trinor-prostaglandin D2
Definition A prostanoid that is 18,19,20-trinor-prostaglandin D2 in which one of the terminal methyl hydrogens has been replaced by a phenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H30O5
Net Charge 0
Average Mass 386.482
Monoisotopic Mass 386.20932
InChI InChI=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
InChIKey OAQGPAZDRCBBLD-YTCWWFNZSA-N
SMILES O=C1[C@@H]([C@@H](C/C=C\CCCC(=O)O)[C@H](C1)O)/C=C/[C@@H](O)CCC2=CC=CC=C2
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 β-hydroxy ketone (CHEBI:55380)
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)
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 Sources
17-phenyl-18,19,20-trinor-PGD2 ChEBI
17-phenyl-ω-trinor-PGD2 ChEBI
17-phenyl-ω-trinor-prostaglandin D2 ChEBI
17-phenyltrinor-PGD2 ChEBI
17-phenyltrinor-prostaglandin D2 ChEBI
7-(5-Hydroxy-2-(3-hydroxy-5-phenyl-1-octenyl)-3-oxocyclopentyl)-5-heptenoic acid ChemIDplus
Registry Numbers Types Sources
6000594 Reaxys Registry Number Reaxys
6000594 Beilstein Registry Number ChemIDplus
85280-91-7 CAS Registry Number ChemIDplus
Last Modified
22 January 2016