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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name L-Thr-(N→6)-α-D-Galp6d3OAc-(1→3)-β-D-GalpNAc
ChEBI ID CHEBI:59415
ChEBI ASCII Name L-Thr-(N->6)-alpha-D-Galp6d3OAc-(1->3)-beta-D-GalpNAc
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H32N2O15
Net Charge 0
Average Mass 540.47250
Monoisotopic Mass 540.18027
InChI InChI=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
InChIKey YPMQJSYGGULWOU-MDGYNGSPSA-N
SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O)[C@H](O)[C@@H](OC(C)=O)[C@H]1O)C(O)=O
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
L-Thr-6-α-D-GalA-3-OAc-(1→3)-β-D-Gal-NAc ChEBI
L-Thr-6-α-D-GalpA-3-OAc-(1→3)-β-D-GalpNAc ChEBI
Citation Waiting for Citations Type Source
7541754 PubMed citation Europe PMC
Last Modified
28 September 2016