CHEBI:71413 - β-D-GlcpNAc-(1→6)-β-D-Galp-(1→4)-β-D-GlcpNAc

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-GlcpNAc-(1→6)-β-D-Galp-(1→4)-β-D-GlcpNAc
ChEBI ID CHEBI:71413
ChEBI ASCII Name beta-D-GlcpNAc-(1->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
Definition A linear amino trisaccharide consisting of an N-acetyl-β-D-glucosamine residue linked (1→6) to a β-D-galactose residue which is itself linked (1→4) to another N-acetyl-β-D-glucosamine residue at the reducing end.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gareth Owen
Secondary ChEBI IDs CHEBI:147807
Supplier Information
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Formula C22H38N2O16
Net Charge 0
Average Mass 586.544
Monoisotopic Mass 586.22213
InChI InChI=1S/C22H38N2O16/c1-6(27)23-11-16(32)19(9(4-26)37-20(11)35)40-22-18(34)17(33)14(30)10(39-22)5-36-21-12(24-7(2)28)15(31)13(29)8(3-25)38-21/h8-22,25-26,29-35H,3-5H2,1-2H3,(H,23,27)(H,24,28)/t8-,9-,10-,11-,12-,13-,14+,15-,16-,17+,18-,19-,20-,21-,22+/m1/s1
InChIKey ILSGXQJDFRRBKD-SBVWRUJHSA-N
SMILES [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(C)=O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3CO)O)NC(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 β-D-GlcpNAc-(1→6)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71413) has role epitope (CHEBI:53000)
β-D-GlcpNAc-(1→6)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71413) is a amino trisaccharide (CHEBI:59266)
β-D-GlcpNAc-(1→6)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71413) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Names
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
GlcNAc(b1-6)Gal(b1-4)b-GlcNAc
Synonyms Sources
2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→6)-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranose IUPAC
β-D-GlcNAc-(1→6)-β-D-Gal-(1→4)-β-D-GlcNAc ChEBI
GlcNAcb1-6Galb1-4GlcNAcb ChEBI
GlcNAcβ1-6Galβ1-4GlcNAcβ ChEBI
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide IUPAC
N-acetyl-β-D-glucosaminyl-(1→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine ChEBI
O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranose ChEBI
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-1/a4-b1_b6-c1 SUBMITTER
Manual Xrefs Databases
G14900XK GlyTouCan
G14900XK GlyGen
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Citations Waiting for Citations Types Sources
19443021 PubMed citation Europe PMC
25568069 PubMed citation Europe PMC
31537530 PubMed citation Europe PMC
Last Modified
26 June 2023