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CHEBI:87261 - O-[N-acetyl-β-D-glucosaminyl-(1→3)-N-acetyl-α-D-galactosaminyl]-L-threonine

ChEBI IDCHEBI:87261
ChEBI NameO-[N-acetyl-β-D-glucosaminyl-(1→3)-N-acetyl-α-D-galactosaminyl]-L-threonine
Stars
ASCII NameO-[N-acetyl-beta-D-glucosaminyl-(1->3)-N-acetyl-alpha-D-galactosaminyl]-L-threonine
DefinitionAn O-glycosyl-L-threonine having N-acetyl-β-D-glucosaminyl-(1→3)-N-acetyl-α-D-galactosamine as the glycosyl component.
Last Modified31 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC20H35N3O13
Net Charge0
Average Mass525.508
Monoisotopic Mass525.21699
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O[C@H](C)[C@H](N)C(=O)O)[C@@H]2NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H35N3O13/c1-6(11(21)18(31)32)33-20-13(23-8(3)27)17(15(29)10(5-25)35-20)36-19-12(22-7(2)26)16(30)14(28)9(4-24)34-19/h6,9-17,19-20,24-25,28-30H,4-5,21H2,1-3H3,(H,22,26)(H,23,27)(H,31,32)/t6-,9-,10-,11+,12-,13-,14-,15+,16-,17-,19+,20+/m1/s1
InChIKeyBMSPZGKRTLZXAV-NOKREWQBSA-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-[N-acetyl-β-D-glucosaminyl-(1→3)-N-acetyl-α-D-galactosaminyl]-L-threonine (CHEBI:87261) is a O-glycosyl-L-threonine (CHEBI:21958)
O-[N-acetyl-β-D-glucosaminyl-(1→3)-N-acetyl-α-D-galactosaminyl]-L-threonine (CHEBI:87261) is a disaccharide derivative (CHEBI:63353)
Synonym  Source
β-D-GlcNAc-(1→3)-α-D-GalNAc-L-ThrChEBI