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CHEBI:146772 - 2-acetamido-2-deoxy-3-O-(β-D-Galp6S)-D-galactitol

ChEBI IDCHEBI:146772
ChEBI Name2-acetamido-2-deoxy-3-O-(β-D-Galp6S)-D-galactitol
Stars
ASCII Name2-acetamido-2-deoxy-3-O-(beta-D-Galp6S)-D-galactitol
DefinitionAn aminodisaccharide that is 2-acetamido-2-deoxy-D-galactitol in which the hydroxy group at position 3 has been converted into the 6-O-sulfo-β-D-galactopyranose derivative.
Last Modified4 May 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H27NO14S
Net Charge0
Average Mass465.430
Monoisotopic Mass465.11523
SMILESCC(=O)N[C@@H](CO)[C@@H](O[C@@H]1O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)CO
WURCSWURCS=2.0/2,2,1/[h2112h_2*NCC/3=O][a2112h-1b_1-5_6*OSO/3=O/3=O]/1-2/a3-b1
InChIInChI=1S/C14H27NO14S/c1-5(18)15-6(2-16)13(9(20)7(19)3-17)29-14-12(23)11(22)10(21)8(28-14)4-27-30(24,25)26/h6-14,16-17,19-23H,2-4H2,1H3,(H,15,18)(H,24,25,26)/t6-,7+,8+,9-,10-,11-,12+,13+,14-/m0/s1
InChIKeyBZXHVIPXPXRHBB-AAZUGDAUSA-N
ChEBI Ontology
Outgoing Relation(s)
2-acetamido-2-deoxy-3-O-(β-D-Galp6S)-D-galactitol (CHEBI:146772) is a O-acyl carbohydrate (CHEBI:52782)
2-acetamido-2-deoxy-3-O-(β-D-Galp6S)-D-galactitol (CHEBI:146772) is a acetamides (CHEBI:22160)
2-acetamido-2-deoxy-3-O-(β-D-Galp6S)-D-galactitol (CHEBI:146772) is a amino disaccharide (CHEBI:22480)
2-acetamido-2-deoxy-3-O-(β-D-Galp6S)-D-galactitol (CHEBI:146772) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
2-acetamido-2-deoxy-3-O-(6-O-sulfo-β-D-galactopyranosyl)-D-galactitol
Synonym  Source
[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfateIUPAC
Manual XrefsDatabases
G05180BWGlyTouCan
G05180BWGlyGen