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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N4-(β-N-acetyl-D-glucosaminyl)-L-asparagine zwitterion
ChEBI ID CHEBI:58080
ChEBI ASCII Name N(4)-(beta-N-acetyl-D-glucosaminyl)-L-asparagine zwitterion
Definition Zwitterionic 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB9277708, eMolecules:478299, ZINC000000895208
Download Molfile XML SDF
Formula C12H21N3O8
Net Charge 0
Average Mass 335.31040
Monoisotopic Mass 335.13286
InChI InChI=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
InChIKey YTTRPBWEMMPYSW-HRRFRDKFSA-N
SMILES CC(=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
ChEBI Ontology
Outgoing 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 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
Synonym Source
N4-(β-N-acetyl-D-glucosaminyl)-L-asparagine UniProt
Last Modified
25 March 2015