CHEBI:28681 - N,N'-diacetylchitobiose

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N,N'-diacetylchitobiose
ChEBI ID CHEBI:28681
ChEBI ASCII Name N,N'-diacetylchitobiose
Definition The N,N'-diacetylated derivative of chitobiose, but with no stereodesignation for the anomeric carbon atom.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:701011, CHEBI:3597
Supplier Information
Download Molfile XML SDF
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-CBTAGEKQSA-N
SMILES CC(=O)N[C@H]1C(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
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562) See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N,N'-diacetylchitobiose (CHEBI:28681) has functional parent β-D-glucosaminyl-(1→4)-D-glucosamine (CHEBI:50675)
N,N'-diacetylchitobiose (CHEBI:28681) has role Escherichia coli metabolite (CHEBI:76971)
N,N'-diacetylchitobiose (CHEBI:28681) has role human metabolite (CHEBI:77746)
N,N'-diacetylchitobiose (CHEBI:28681) has role mouse metabolite (CHEBI:75771)
N,N'-diacetylchitobiose (CHEBI:28681) is a N,N'-diacetylchitobioses (CHEBI:23101)
Incoming N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-α-D-glucosamine (CHEBI:50672) is a N,N'-diacetylchitobiose (CHEBI:28681)
N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:50670) is a N,N'-diacetylchitobiose (CHEBI:28681)
IUPAC Name
2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-D-glucopyranose
Synonyms Sources
Chitobiose
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.
 KEGG COMPOUND
Diacetylchitobiose KEGG COMPOUND
N,N'-diacetylchitobiose UniProt
N,N'-Diacetylchitobiose KEGG COMPOUND
WURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2/a4-b1 GlyTouCan
Manual Xrefs Databases
C01674 KEGG COMPOUND
G07982RO GlyGen
G07982RO GlyTouCan
G10336 KEGG GLYCAN
View more database links
Registry Numbers Types Sources
1443239 Beilstein Registry Number Beilstein
35061-50-8 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
20056550 PubMed citation ChEMBL
32568414 PubMed citation Europe PMC
Last Modified
15 February 2022