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CHEBI:145478 - β-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamine(1+)

ChEBI IDCHEBI:145478
ChEBI Nameβ-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamine(1+)
Stars
ASCII Namebeta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine(1+)
DefinitionA primary ammonium ion derivative resulting from the protonation of the primary amino group of β-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamine. The major species at pH 7.3.
Last Modified13 March 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC14H27N2O10
Net Charge+1
Average Mass383.374
Monoisotopic Mass383.16602
SMILESCC(=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]2[NH3+])[C@@H]1O
InChIInChI=1S/C14H26N2O10/c1-4(19)16-8-11(22)12(6(3-18)24-13(8)23)26-14-7(15)10(21)9(20)5(2-17)25-14/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
InChIKeyTVLSMEPJGATPGK-UEVOBBHASA-O
ChEBI Ontology
Outgoing Relation(s)
β-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamine(1+) (CHEBI:145478) is a primary ammonium ion (CHEBI:65296)
β-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamine(1+) (CHEBI:145478) is conjugate acid of β-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamine (CHEBI:145777)
Incoming Relation(s)
β-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamine (CHEBI:145777) is conjugate base of β-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamine(1+) (CHEBI:145478)
IUPAC Name 
2-acetamido-4-O-(2-ammonio-2-deoxy-β-D-glucopyranosyl)-2-deoxy-D-glucopyranose
Synonyms  Source
β-D-GlcN-(1→4)-GlcNAc(1+)ChEBI
2-ammonio-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranoseChEBI
UniProt Name  Source
β-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamineUniProt
Manual XrefsDatabases
CPD-13516MetaCyc
Citations