CHEBI:50668 - N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-aldehydo-D-glucosamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-aldehydo-D-glucosamine
ChEBI ID CHEBI:50668
ChEBI ASCII Name N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-aldehydo-D-glucosamine
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H28N2O11
Net Charge 0
Average Mass 424.40040
Monoisotopic Mass 424.16931
InChI InChI=1S/C16H28N2O11/c1-6(22)17-8(3-19)12(25)15(9(24)4-20)29-16-11(18-7(2)23)14(27)13(26)10(5-21)28-16/h3,8-16,20-21,24-27H,4-5H2,1-2H3,(H,17,22)(H,18,23)/t8-,9+,10+,11+,12+,13+,14+,15+,16-/m0/s1
InChIKey PLJAKLUDUPBLGD-VLWZLFBZSA-N
SMILES [H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO
ChEBI Ontology
Outgoing N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-aldehydo-D-glucosamine (CHEBI:50668) has functional parent β-D-glucosaminyl-(1→4)-aldehydo-D-glucosamine (CHEBI:50678)
N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-aldehydo-D-glucosamine (CHEBI:50668) is a N,N'-diacetylchitobioses (CHEBI:23101)
IUPAC Name
2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-aldehydo-D-glucose
Synonyms Sources
2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-D-glucose IUPAC
bis(N-acetyl)chitobiose ChemIDplus
di-N-acetylchitobiose ChemIDplus
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.
ChemIDplus
Registry Numbers Types Sources
35061-50-8 CAS Registry Number ChemIDplus
61689 Beilstein Registry Number Beilstein
Last Modified
03 August 2010