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CHEBI:177817 - Aganepag isopropyl

ChEBI IDCHEBI:177817
ChEBI NameAganepag isopropyl
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37NO4S
Net Charge0
Average Mass471.663
Monoisotopic Mass471.24433
SMILESCCCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)OC(C)C)s2)cc1
InChIInChI=1S/C27H37NO4S/c1-4-5-6-10-24(29)20-11-13-22(14-12-20)28-21(15-18-26(28)30)8-7-9-23-16-17-25(33-23)27(31)32-19(2)3/h11-14,16-17,19,21,24,29H,4-10,15,18H2,1-3H3/t21-,24-/m0/s1
InChIKeyGKRBCKDGBDUAIQ-URXFXBBRSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Aganepag isopropyl (CHEBI:177817) is a pyrrolidines (CHEBI:38260)
IUPAC Name 
propan-2-yl 5-[3-[(2S)-1-[4-[(1S)-1-hydroxyhexyl]phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylate
Manual XrefsDatabases
DB16085DrugBank
D09863KEGG DRUG
24818410ChemSpider
Registry NumbersSources
CAS:910562-20-8ChemIDplus