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CHEBI:49125 - N-(β-D-glucosyl)nicotinate

ChEBI IDCHEBI:49125
ChEBI NameN-(β-D-glucosyl)nicotinate
Stars
ASCII NameN-(beta-D-glucosyl)nicotinate
Last Modified13 November 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC12H15NO7
Net Charge0
Average Mass285.252
Monoisotopic Mass285.08485
SMILESO=C([O-])c1ccc[n+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C12H15NO7/c14-5-7-8(15)9(16)10(17)11(20-7)13-3-1-2-6(4-13)12(18)19/h1-4,7-11,14-17H,5H2/t7-,8-,9+,10-,11-/m1/s1
InChIKeyCRXJVFIHZPTDKA-KAMPLNKDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(β-D-glucosyl)nicotinate (CHEBI:49125) is a N-(D-glucopyranosyl)nicotinate (CHEBI:15917)
N-(β-D-glucosyl)nicotinate (CHEBI:49125) is conjugate base of N-(β-D-glucosyl)nicotinic acid (CHEBI:49124)
Incoming Relation(s)
N-(β-D-glucosyl)nicotinic acid (CHEBI:49124) is conjugate acid of N-(β-D-glucosyl)nicotinate (CHEBI:49125)
IUPAC Name 
1-β-D-glucopyranosylpyridinium-3-carboxylate
UniProt Name  Source
N-(β-D-glucosyl)nicotinateUniProt
Registry NumbersSources
Beilstein:7390118Beilstein