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CHEBI:59415 - L-Thr-(N→6)-α-D-Galp6d3OAc-(1→3)-β-D-GalpNAc

ChEBI IDCHEBI:59415
ChEBI NameL-Thr-(N→6)-α-D-Galp6d3OAc-(1→3)-β-D-GalpNAc
Stars
ASCII NameL-Thr-(N->6)-alpha-D-Galp6d3OAc-(1->3)-beta-D-GalpNAc
DefinitionAn L-threonine derivative in which L-threonine is linked via its nitrogen to C-6 of the non-reducing-end galactose residue of 3-O-acetyl-α-D-galacto-hexodialdo-1,5-pyranosyl-(1→3)-N-acetyl-acetamido-2-deoxy-β-D-galactosamine; an important threonine-containing epitope of the Proteus penneri O-specific polysaccharide.
Last Modified28 September 2016
Submitterzjosephs
DownloadsMolfile
FormulaC20H32N2O15
Net Charge0
Average Mass540.475
Monoisotopic Mass540.18027
SMILESCC(=O)N[C@@H]1[C@@H](O[C@H]2O[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@H](O)[C@H](OC(C)=O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C20H32N2O15/c1-5(24)9(18(31)32)22-17(30)16-12(28)15(34-7(3)26)13(29)20(37-16)36-14-10(21-6(2)25)19(33)35-8(4-23)11(14)27/h5,8-16,19-20,23-24,27-29,33H,4H2,1-3H3,(H,21,25)(H,22,30)(H,31,32)/t5-,8-,9+,10-,11+,12-,13-,14-,15+,16+,19-,20+/m1/s1
InChIKeyYPMQJSYGGULWOU-MDGYNGSPSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
L-Thr-(N→6)-α-D-Galp6d3OAc-(1→3)-β-D-GalpNAc (CHEBI:59415) has role epitope (CHEBI:53000)
L-Thr-(N→6)-α-D-Galp6d3OAc-(1→3)-β-D-GalpNAc (CHEBI:59415) is a L-threonine derivative (CHEBI:84189)
L-Thr-(N→6)-α-D-Galp6d3OAc-(1→3)-β-D-GalpNAc (CHEBI:59415) is a amino disaccharide (CHEBI:22480)
IUPAC Name 
3-(3-O-acetyl-6-deoxy-6-threonino-α-D-galactopyranuronosyl)-2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
L-Thr-6-α-D-GalA-3-OAc-(1→3)-β-D-Gal-NAcChEBI
L-Thr-6-α-D-GalpA-3-OAc-(1→3)-β-D-GalpNAcChEBI
Citations