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CHEBI:194210 - 2-(3-hydroxyoctyl)-5-oxo-1-pyrrolidineheptanoic acid

ChEBI IDCHEBI:194210
ChEBI Name2-(3-hydroxyoctyl)-5-oxo-1-pyrrolidineheptanoic acid
Stars
DefinitionA pyrrolidin-2-one substituted by 6-carboxyhexyl and 3-hydroxyoctyl groups at positions 1 and 2, respectively. It is a potent prostaglandin EP4 receptor agonist (Ki=35 nM).
Last Modified17 January 2023
Submittermwilliams
DownloadsMolfile
FormulaC19H35NO4
Net Charge0
Average Mass341.492
Monoisotopic Mass341.25661
SMILESCCCCCC(O)CCC1CCC(=O)N1CCCCCCC(=O)O
InChIInChI=1S/C19H35NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h16-17,21H,2-15H2,1H3,(H,23,24)
InChIKeyCBWGHEDGUILASE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
prostaglandin receptor agonist  An agonist that binds to and activates prostaglandin receptors.
ChEBI Ontology
Outgoing Relation(s)
2-(3-hydroxyoctyl)-5-oxo-1-pyrrolidineheptanoic acid (CHEBI:194210) has role prostaglandin receptor agonist (CHEBI:66900)
2-(3-hydroxyoctyl)-5-oxo-1-pyrrolidineheptanoic acid (CHEBI:194210) is a hydroxy monocarboxylic acid (CHEBI:35868)
2-(3-hydroxyoctyl)-5-oxo-1-pyrrolidineheptanoic acid (CHEBI:194210) is a pyrrolidin-2-ones (CHEBI:74223)
2-(3-hydroxyoctyl)-5-oxo-1-pyrrolidineheptanoic acid (CHEBI:194210) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
7-[2-(3-hydroxyoctyl)-5-oxopyrrolidin-1-yl]heptanoic acid
Synonyms  Source
CAY10580ChEBI
CAY 10580ChEBI
CAY-10580ChEBI
Registry NumbersSources
CAS:64054-40-6ChEBI
Citations