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CHEBI:62465 - O-(3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl)-L-serine zwitterion

ChEBI IDCHEBI:62465
ChEBI NameO-(3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl)-L-serine zwitterion
Stars
ASCII NameO-(3-O-beta-D-galactosyl-N-acetyl-alpha-D-galactosaminyl)-L-serine zwitterion
DefinitionAn amino acid zwitterion that is the zwitterionic form of O-(3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl)-L-serine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
Last Modified4 July 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H30N2O13
Net Charge0
Average Mass470.428
Monoisotopic Mass470.17479
SMILESCC(=O)N[C@H]1[C@@H](OC[C@H]([NH3+])C(=O)[O-])O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C17H30N2O13/c1-5(22)19-9-14(32-17-13(26)12(25)10(23)7(2-20)31-17)11(24)8(3-21)30-16(9)29-4-6(18)15(27)28/h6-14,16-17,20-21,23-26H,2-4,18H2,1H3,(H,19,22)(H,27,28)/t6-,7+,8+,9+,10-,11-,12-,13+,14+,16-,17-/m0/s1
InChIKeyXDMCWZFLLGVIID-ULCOMTOUSA-N
ChEBI Ontology
Outgoing Relation(s)
O-(3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl)-L-serine zwitterion (CHEBI:62465) is a amino-acid zwitterion (CHEBI:35238)
O-(3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl)-L-serine zwitterion (CHEBI:62465) is tautomer of O-(3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl)-L-serine (CHEBI:62464)
Incoming Relation(s)
O-(3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl)-L-serine (CHEBI:62464) is tautomer of O-(3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl)-L-serine zwitterion (CHEBI:62465)
IUPAC Name 
(2S)-3-[β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-α-D-galactopyranosyloxy]-2-azaniumylpropanoate
Synonyms  Source
(2S)-3-(2-acetamido-2-deoxy-3-O-β-D-galactopyranosyl-α-D-galactopyranosyloxy)-2-azaniumylpropanoateIUPAC
β-Galp-(1→3)-α-GalpNAc-(1→3)-Ser zwitterionChEBI
UniProt Name  Source
O-(3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl)-L-serineUniProt