CHEBI:50670 - N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine
ChEBI ID CHEBI:50670
ChEBI ASCII Name N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine
Definition An N,N'-diacetylchitobiose having β-configuration at the reducing end anomeric centre.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41365, CHEBI:50669
Supplier Information
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Formula C16H28N2O11
Net Charge 0
Average Mass 424.40040
Monoisotopic Mass 424.16931
InChI InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16+/m1/s1
InChIKey CDOJPCSDOXYJJF-KSKNGZLJSA-N
SMILES CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
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.
Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via N,N'-diacetylchitobiose )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via N,N'-diacetylchitobiose )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via N,N'-diacetylchitobiose )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:50670) has functional parent β-D-glucosaminyl-(1→4)-β-D-glucosamine (CHEBI:50677)
N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:50670) has role epitope (CHEBI:53000)
N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:50670) is a N,N'-diacetylchitobiose (CHEBI:28681)
Incoming α-L-Fucp-(1→6)-[β-D-GlcpNAc-(1→4)]-β-D-GlcNAc (CHEBI:190511) has functional parent N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:50670)
β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:147508) has functional parent N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:50670)
β-D-GlcpNAc-(1→4)-[β-D-Manp-(1→6)]-β-D-GlcpNAc (CHEBI:148113) has functional parent N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:50670)
β-D-GlcpNAc-(1→4)-[β-L-Fucp-(1→6)]-β-D-GlcpNAc (CHEBI:148454) has functional parent N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:50670)
N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosaminyl group (CHEBI:86361) is substituent group from N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:50670)
IUPAC Names
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
2-acetamido-4-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-deoxy-β-D-glucopyranose
Synonyms Sources
β-D-GlcNAc-(1→4)-β-D-GlcNAc ChEBI
β-D-GlcpNAc-(1→4)-β-D-GlcpNAc ChEBI
βGlcNAc(1→4)βGlcNAc ChEBI
DI(N-ACETYL-D-GLUCOSAMINE) PDBeChem
GlcNAcb1-4GlcNAcb ChEBI
GlcNAcβ1-4GlcNAcβ ChEBI
N,N'-diacetylchitobiose
Note: (2010-08-03) There is ambiguity in the use of the name 'chitobiose': see article taken from the JCBN/NC-IUB Newsletter 1988 at http://www.chem.qmul.ac.uk/iubmb/newsletter/misc/chitob.html.
 JCBN
N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine UniProt
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1 GlyTouCan
Manual Xrefs Databases
CBS PDBeChem
DB03013 DrugBank
G42666HT GlyTouCan
G42666HT GlyGen
US7060790 Patent
View more database links
Registry Numbers Types Sources
1443242 Reaxys Registry Number Reaxys
1443242 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
12617608 PubMed citation Europe PMC
18083153 PubMed citation Europe PMC
19059777 PubMed citation Europe PMC
19443021 PubMed citation Europe PMC
20045674 PubMed citation Europe PMC
31537530 PubMed citation Europe PMC
32568414 PubMed citation Europe PMC
36988069 PubMed citation Europe PMC
7521740 PubMed citation Europe PMC
Last Modified
03 May 2023