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CHEBI:133982 - O-{β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc}-L-threonine

ChEBI IDCHEBI:133982
ChEBI NameO-{β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc}-L-threonine
Stars
ASCII NameO-{beta-D-GlcpNAc-(1->6)-[beta-D-Galp-(1->3)]-alpha-D-GalpNAc}-L-threonine
DefinitionAn O-glycosyl-L-threonine having N-acetyl-β-D-glucosaminyl-(1→6)-[β-D-galactosyl-(1→3)]-N-acetyl-α-D-galactosamine as the glycosyl component.
Last Modified18 November 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H45N3O18
Net Charge0
Average Mass687.649
Monoisotopic Mass687.26981
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OC(C)[C@H](N)C(=O)O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C26H45N3O18/c1-7(13(27)23(40)41)43-25-15(29-9(3)33)22(47-26-21(39)20(38)17(35)11(5-31)45-26)18(36)12(46-25)6-42-24-14(28-8(2)32)19(37)16(34)10(4-30)44-24/h7,10-22,24-26,30-31,34-39H,4-6,27H2,1-3H3,(H,28,32)(H,29,33)(H,40,41)/t7?,10-,11-,12-,13+,14-,15-,16-,17+,18+,19-,20+,21-,22-,24-,25+,26+/m1/s1
InChIKeyYQNQEZMFMBODFK-UKAXMGDTSA-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)
O-{β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc}-L-threonine (CHEBI:133982) is a O-glycosyl-L-threonine (CHEBI:21958)
O-{β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc}-L-threonine (CHEBI:133982) is a trisaccharide derivative (CHEBI:63571)
IUPAC Name 
O-{3-acetamido-3-deoxy-β-D-glucopyranosyl-(1→6)-[β-D-galactopyranosyl-(1→3)]-3-acetamido-3-deoxy-α-D-galactopyranosyl}-L-threonine
Synonyms  Source
O-{β-D-GlcNAc-(1→6)-[β-D-Gal-(1→3)]-α-D-GalNAc}-L-threonineChEBI
O-{N-acetyl-β-D-glucosaminyl-(1→6)-[β-D-galactosyl-(1→3)]-N-acetyl-α-D-galactosaminyl}-L-threonineChEBI
O-{β-D-GlcNAc-(1→6)-[β-D-Gal-(1→3)]-α-D-GalNAc}-ThrChEBI
Citations