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

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ChEBI Name 3'-Hydroxy Repaglinide(Mixture of Diastereomers)
ChEBI ID CHEBI:183883
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H36N2O5
Net Charge 0
Average Mass 468.594
Monoisotopic Mass 468.26242
InChI InChI=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)
InChIKey OBMAZJVHPAVADF-UHFFFAOYSA-N
SMILES OC1CN(CCC1)C=2C(C(NC(=O)CC3=CC(OCC)=C(C=C3)C(O)=O)CC(C)C)=CC=CC2
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
22547080 ChemSpider
HMDB0060979 HMDB
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