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CHEBI:90839 - 3-O-(N-acetyl-β-D-glucosaminyl)-L-threonine

ChEBI IDCHEBI:90839
ChEBI Name3-O-(N-acetyl-β-D-glucosaminyl)-L-threonine
Stars
ASCII Name3-O-(N-acetyl-beta-D-glucosaminyl)-L-threonine
DefinitionAn O-glycosyl-L-threonine having N-acetyl-β-D-glucosaminyl as the glycosyl component.
Last Modified22 February 2016
SubmitterAnne Morgat
DownloadsMolfile
FormulaC12H22N2O8
Net Charge0
Average Mass322.314
Monoisotopic Mass322.13762
SMILESCC(=O)N[C@H]1[C@H](O[C@H](C)[C@H](N)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22N2O8/c1-4(7(13)11(19)20)21-12-8(14-5(2)16)10(18)9(17)6(3-15)22-12/h4,6-10,12,15,17-18H,3,13H2,1-2H3,(H,14,16)(H,19,20)/t4-,6-,7+,8-,9-,10-,12-/m1/s1
InChIKeyKUIFHYPNNRVEKZ-BIORGJIFSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-O-(N-acetyl-β-D-glucosaminyl)-L-threonine (CHEBI:90839) is a O-glycosyl-L-threonine (CHEBI:21958)
3-O-(N-acetyl-β-D-glucosaminyl)-L-threonine (CHEBI:90839) is a monosaccharide derivative (CHEBI:63367)
3-O-(N-acetyl-β-D-glucosaminyl)-L-threonine (CHEBI:90839) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
Incoming Relation(s)
O-(N-acetyl-β-D-glucosaminyl)-L-threonine residue (CHEBI:90840) is substituent group from 3-O-(N-acetyl-β-D-glucosaminyl)-L-threonine (CHEBI:90839)
Synonym  Source
O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-L-threonineChEBI
Registry NumbersSources
Reaxys:11223411Reaxys