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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-O-(N-acetyl-β-D-glucosaminyl)-L-threonine
ChEBI ID CHEBI:90839
ChEBI ASCII Name 3-O-(N-acetyl-beta-D-glucosaminyl)-L-threonine
Definition An O-glycosyl-L-threonine having N-acetyl-β-D-glucosaminyl as the glycosyl component.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C12H22N2O8
Net Charge 0
Average Mass 322.312
Monoisotopic Mass 322.13762
InChI InChI=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
InChIKey KUIFHYPNNRVEKZ-BIORGJIFSA-N
SMILES O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O[C@@H]([C@H](N)C(O)=O)C)NC(C)=O)O)O)CO
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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-threonine ChEBI
Registry Number Type Source
11223411 Reaxys Registry Number Reaxys
Last Modified
22 February 2016