EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:58886 - 1D-myo-inositol 2-ammonio-2-deoxy-α-D-glucopyranoside

Default Structure
ChEBI IDCHEBI:58886
ChEBI Name1D-myo-inositol 2-ammonio-2-deoxy-α-D-glucopyranoside
Stars
ASCII Name1D-myo-inositol 2-ammonio-2-deoxy-alpha-D-glucopyranoside
DefinitionConjugate acid of 1D-myo-inositol 2-amino-2-deoxy-α-D-glucopyranoside arising from protonation of the nitrogen.
Last Modified12 June 2013
DownloadsMolfile
FormulaC12H24NO10
Net Charge+1
Average Mass342.321
Monoisotopic Mass342.13947
SMILES[NH3+][C@H]1[C@@H](O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/p+1/t2-,3-,4-,5-,6-,7-,8+,9-,10-,11-,12-/m1/s1
InChIKeyHEPUIGACZYVUCD-LFIKJOHQSA-O
ChEBI Ontology
Outgoing Relation(s)
1D-myo-inositol 2-ammonio-2-deoxy-α-D-glucopyranoside (CHEBI:58886) is a ammonium ion derivative (CHEBI:35274)
1D-myo-inositol 2-ammonio-2-deoxy-α-D-glucopyranoside (CHEBI:58886) is conjugate acid of 1D-myo-inositol 2-amino-2-deoxy-α-D-glucopyranoside (CHEBI:52283)
Incoming Relation(s)
1D-myo-inositol 2-amino-2-deoxy-α-D-glucopyranoside (CHEBI:52283) is conjugate base of 1D-myo-inositol 2-ammonio-2-deoxy-α-D-glucopyranoside (CHEBI:58886)
IUPAC Name 
1-O-(2-azaniumyl-2-deoxy-α-D-glucopyranosyl)-1D-myo-inositol
UniProt Name  Source
1D-myo-inositol 2-amino-2-deoxy-α-D-glucopyranosideUniProt