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CHEBI:58080 - N4-(β-N-acetyl-D-glucosaminyl)-L-asparagine zwitterion

ChEBI IDCHEBI:58080
ChEBI NameN4-(β-N-acetyl-D-glucosaminyl)-L-asparagine zwitterion
Stars
ASCII NameN(4)-(beta-N-acetyl-D-glucosaminyl)-L-asparagine zwitterion
DefinitionZwitterionic form of N4-(β-N-acetyl-D-glucosaminyl)-L-asparagine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
Last Modified25 March 2015
DownloadsMolfile
FormulaC12H21N3O8
Net Charge0
Average Mass335.313
Monoisotopic Mass335.13286
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)C[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C12H21N3O8/c1-4(17)14-8-10(20)9(19)6(3-16)23-11(8)15-7(18)2-5(13)12(21)22/h5-6,8-11,16,19-20H,2-3,13H2,1H3,(H,14,17)(H,15,18)(H,21,22)/t5-,6+,8+,9+,10+,11+/m0/s1
InChIKeyYTTRPBWEMMPYSW-HRRFRDKFSA-N
ChEBI Ontology
Outgoing Relation(s)
N4-(β-N-acetyl-D-glucosaminyl)-L-asparagine zwitterion (CHEBI:58080) is a amino-acid zwitterion (CHEBI:35238)
N4-(β-N-acetyl-D-glucosaminyl)-L-asparagine zwitterion (CHEBI:58080) is tautomer of N4-(β-N-acetyl-D-glucosaminyl)-L-asparagine (CHEBI:17261)
Incoming Relation(s)
N4-(β-N-acetyl-D-glucosaminyl)-L-asparagine (CHEBI:17261) is tautomer of N4-(β-N-acetyl-D-glucosaminyl)-L-asparagine zwitterion (CHEBI:58080)
IUPAC Name 
2-acetamido-N-[(3S)-3-azaniumyl-3-carboxylatopropanoyl]-2-deoxy-β-D-glucopyranosylamine
UniProt Name  Source
N4-(β-N-acetyl-D-glucosaminyl)-L-asparagineUniProt