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CHEBI:183883 - 3'-Hydroxy Repaglinide(Mixture of Diastereomers)

ChEBI IDCHEBI:183883
ChEBI Name3'-Hydroxy Repaglinide(Mixture of Diastereomers)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36N2O5
Net Charge0
Average Mass468.594
Monoisotopic Mass468.26242
SMILESCCOc1cc(CC(=O)NC(CC(C)C)c2ccccc2N2CCCC(O)C2)ccc1C(=O)O
InChIInChI=1S/C27H36N2O5/c1-4-34-25-15-19(11-12-22(25)27(32)33)16-26(31)28-23(14-18(2)3)21-9-5-6-10-24(21)29-13-7-8-20(30)17-29/h5-6,9-12,15,18,20,23,30H,4,7-8,13-14,16-17H2,1-3H3,(H,28,31)(H,32,33)
InChIKeyOBMAZJVHPAVADF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
ChEBI Ontology
Outgoing Relation(s)
3'-Hydroxy Repaglinide(Mixture of Diastereomers) (CHEBI:183883) is a piperidines (CHEBI:26151)
IUPAC Name 
2-ethoxy-4-[2-[[1-[2-(3-hydroxypiperidin-1-yl)phenyl]-3-methylbutyl]amino]-2-oxoethyl]benzoic acid
Manual XrefsDatabases
22547080ChemSpider
HMDB0060979HMDB