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CHEBI:190966 - 2-despiperidyl-2-(5-carboxypentylamine)repaglinide

ChEBI IDCHEBI:190966
ChEBI Name2-despiperidyl-2-(5-carboxypentylamine)repaglinide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36N2O6
Net Charge0
Average Mass484.593
Monoisotopic Mass484.25734
SMILESCCOc1cc(CC(=O)NC(CC(C)C)c2ccccc2NCCCCC(=O)O)ccc1C(=O)O
InChIInChI=1S/C27H36N2O6/c1-4-35-24-16-19(12-13-21(24)27(33)34)17-25(30)29-23(15-18(2)3)20-9-5-6-10-22(20)28-14-8-7-11-26(31)32/h5-6,9-10,12-13,16,18,23,28H,4,7-8,11,14-15,17H2,1-3H3,(H,29,30)(H,31,32)(H,33,34)
InChIKeyZOMBGPVQRXZSGW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
2-despiperidyl-2-(5-carboxypentylamine)repaglinide (CHEBI:190966) has functional parent δ-amino acid (CHEBI:35931)
2-despiperidyl-2-(5-carboxypentylamine)repaglinide (CHEBI:190966) is a organonitrogen compound (CHEBI:35352)
2-despiperidyl-2-(5-carboxypentylamine)repaglinide (CHEBI:190966) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
4-[2-[[1-[2-(4-carboxybutylamino)phenyl]-3-methylbutyl]amino]-2-oxoethyl]-2-ethoxybenzoic acid
Manual XrefsDatabases
22546879ChemSpider