CHEBI:50678 - β-D-glucosaminyl-(1→4)-aldehydo-D-glucosamine

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ChEBI Name β-D-glucosaminyl-(1→4)-aldehydo-D-glucosamine
ChEBI ID CHEBI:50678
ChEBI ASCII Name beta-D-glucosaminyl-(1->4)-aldehydo-D-glucosamine
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H24N2O9
Net Charge 0
Average Mass 340.32704
Monoisotopic Mass 340.14818
InChI InChI=1S/C12H24N2O9/c13-4(1-15)8(19)11(5(18)2-16)23-12-7(14)10(21)9(20)6(3-17)22-12/h1,4-12,16-21H,2-3,13-14H2/t4-,5+,6+,7+,8+,9+,10+,11+,12-/m0/s1
InChIKey VUALREFPJJODHZ-JTCHKQLLSA-N
SMILES [H]C(=O)[C@H](N)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N)[C@H](O)CO
ChEBI Ontology
Outgoing β-D-glucosaminyl-(1→4)-aldehydo-D-glucosamine (CHEBI:50678) is a chitobioses (CHEBI:50674)
Incoming 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)
IUPAC Name
2-amino-4-O-(2-amino-2-deoxy-β-D-glucopyranosyl)-2-deoxy-aldehydo-D-glucose
Synonym Source
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.
ChemIDplus
Registry Numbers Types Sources
43620 Beilstein Registry Number Beilstein
577-76-4 CAS Registry Number ChemIDplus
Last Modified
03 August 2010