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 ChemicalBook:CB1689710, eMolecules:26750295 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 Types Sources 20056550 PubMed citation ChEMBL 32568414 PubMed citation Europe PMC Last Modified 15 February 2022