CHEBI:59910 - N-acetyl-β-D-glucosaminyl-(1→4)-D-glucosaminium(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-acetyl-β-D-glucosaminyl-(1→4)-D-glucosaminium(1+)
ChEBI ID CHEBI:59910
ChEBI ASCII Name N-acetyl-beta-D-glucosaminyl-(1->4)-D-glucosaminium(1+)
Definition The conjugate acid of N-acetyl-β-D-glucosaminyl-(1→4)-D-glucosamine.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C14H27N2O10
Net Charge +1
Average Mass 383.37160
Monoisotopic Mass 383.16602
InChI InChI=1S/C14H26N2O10/c1-4(19)16-8-11(22)9(20)5(2-17)25-14(8)26-12-6(3-18)24-13(23)7(15)10(12)21/h5-14,17-18,20-23H,2-3,15H2,1H3,(H,16,19)/p+1/t5-,6-,7-,8-,9-,10-,11-,12-,13?,14+/m1/s1
InChIKey BXVPZDGOKHWNAM-UEVOBBHASA-O
SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H]([NH3+])C(O)O[C@@H]1CO
ChEBI Ontology
Outgoing N-acetyl-β-D-glucosaminyl-(1→4)-D-glucosaminium(1+) (CHEBI:59910) is a ammonium ion derivative (CHEBI:35274)
N-acetyl-β-D-glucosaminyl-(1→4)-D-glucosaminium(1+) (CHEBI:59910) is conjugate acid of N-acetyl-β-D-glucosaminyl-(1→4)-D-glucosamine (CHEBI:59922)
Incoming N-acetyl-β-D-glucosaminyl-(1→4)-D-glucosamine (CHEBI:59922) is conjugate base of N-acetyl-β-D-glucosaminyl-(1→4)-D-glucosaminium(1+) (CHEBI:59910)
IUPAC Name
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-azaniumyl-2-deoxy-D-glucopyranose
Synonyms Sources
4-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-azaniumyl-2-deoxy-D-glucopyranose ChEBI
N-acetyl-β-D-glucosaminyl-(1→4)-D-glucosamine UniProt
N-monoacetylchitobiose(1+) ChEBI
Last Modified
12 August 2015
Submitter Remark
2010-07-30 13:20:33.0 Kristian Axelsen Needed for new IUBMB reaction EC 3.5.1.105. See also MetaCyc RXN-11313