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CHEBI:231670 - Ono-AE1-329

Default Structure
ChEBI IDCHEBI:231670
ChEBI NameOno-AE1-329
Stars
DefinitionOno-AE1-329 is a novel agonist of the prostaglandin PGE2 receptor EP4.
Submitteramillett1
DownloadsMolfile
FormulaC23H32O6S2
Net Charge0
Average Mass468.637
Monoisotopic Mass468.16403
SMILESCOCc1ccccc1CCC(O)/C=C/C1C(O)CC(=O)C1SCCCSCC(=O)O
InChIInChI=1S/C23H32O6S2/c1-29-14-17-6-3-2-5-16(17)7-8-18(24)9-10-19-20(25)13-21(26)23(19)31-12-4-11-30-15-22(27)28/h2-3,5-6,9-10,18-20,23-25H,4,7-8,11-15H2,1H3,(H,27,28)/b10-9+
InChIKeyBVGVPUMSPSNRRQ-MDZDMXLPSA-N
ChEBI Ontology
Outgoing Relation(s)
Ono-AE1-329 (CHEBI:231670) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5-[2-(methoxymethyl)phenyl]pent-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acidSUBMITTER
AE 1-329SUBMITTER