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CHEBI:58887 - 1D-myo-inositol 2-(L-cysteiniumylamino)-2-deoxy-α-D-glucopyranoside

ChEBI IDCHEBI:58887
ChEBI Name1D-myo-inositol 2-(L-cysteiniumylamino)-2-deoxy-α-D-glucopyranoside
Stars
ASCII Name1D-myo-inositol 2-(L-cysteiniumylamino)-2-deoxy-alpha-D-glucopyranoside
DefinitionConjugate acid of 1D-myo-inositol 2-(L-cysteinylamino)-2-deoxy-α-D-glucopyranoside arising from protonation of the amino acid nitrogen.
Last Modified13 November 2017
DownloadsMolfile
FormulaC15H29N2O11S
Net Charge+1
Average Mass445.467
Monoisotopic Mass445.14866
SMILES[NH3+][C@@H](CS)C(=O)N[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/C15H28N2O11S/c16-3(2-29)14(26)17-5-7(20)6(19)4(1-18)27-15(5)28-13-11(24)9(22)8(21)10(23)12(13)25/h3-13,15,18-25,29H,1-2,16H2,(H,17,26)/p+1/t3-,4+,5+,6+,7+,8-,9-,10+,11+,12+,13-,15+/m0/s1
InChIKeyZGXSCMBZZVXWGF-BSEFFJTHSA-O
ChEBI Ontology
Outgoing Relation(s)
1D-myo-inositol 2-(L-cysteiniumylamino)-2-deoxy-α-D-glucopyranoside (CHEBI:58887) is a ammonium ion derivative (CHEBI:35274)
1D-myo-inositol 2-(L-cysteiniumylamino)-2-deoxy-α-D-glucopyranoside (CHEBI:58887) is conjugate acid of 1D-myo-inositol 2-(L-cysteinylamino)-2-deoxy-α-D-glucopyranoside (CHEBI:52285)
Incoming Relation(s)
1D-myo-inositol 2-(L-cysteinylamino)-2-deoxy-α-D-glucopyranoside (CHEBI:52285) is conjugate base of 1D-myo-inositol 2-(L-cysteiniumylamino)-2-deoxy-α-D-glucopyranoside (CHEBI:58887)
IUPAC Name 
1-O-(2-{[(2R)-2-azniumyl-3-sulfanylpropanoyl]amino}-2-deoxy-α-D-glucopyranosyl)-1D-myo-inositol
UniProt Name  Source
1D-myo-inositol 2-(L-cysteinylamino)-2-deoxy-α-D-glucopyranosideUniProt