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

ChEBI IDCHEBI:50668
ChEBI NameN-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-aldehydo-D-glucosamine
Stars
ASCII NameN-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-aldehydo-D-glucosamine
Last Modified3 August 2010
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC16H28N2O11
Net Charge0
Average Mass424.403
Monoisotopic Mass424.16931
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
InChIInChI=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
InChIKeyPLJAKLUDUPBLGD-VLWZLFBZSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-D-glucoseIUPAC
N,N'-diacetylchitobioseChemIDplus
bis(N-acetyl)chitobioseChemIDplus
di-N-acetylchitobioseChemIDplus
Registry NumbersSources
Beilstein:61689Beilstein
CAS:35061-50-8ChemIDplus