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CHEBI:153853 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide

ChEBI IDCHEBI:153853
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H38N2O16
Net Charge0
Average Mass586.544
Monoisotopic Mass586.22213
SMILESCC(=O)N[C@@H]1[C@@H](O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/3,3,2/[a2112h-1b_1-5_2*NCC/3=O][a2122h-1a_1-5_2*NCC/3=O][a2112h-1a_1-5]/1-2-3/a3-b1_b6-c1
InChIInChI=1S/C22H38N2O16/c1-6(27)23-11-16(32)14(30)10(5-36-22-18(34)17(33)13(29)8(3-25)38-22)39-21(11)40-19-12(24-7(2)28)20(35)37-9(4-26)15(19)31/h8-22,25-26,29-35H,3-5H2,1-2H3,(H,23,27)(H,24,28)/t8-,9-,10-,11-,12-,13+,14-,15+,16-,17+,18-,19-,20-,21-,22+/m1/s1
InChIKeyMKABYQPKMSIORV-VNYNYHFESA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide (CHEBI:153853) is a amino sugar (CHEBI:28963)
Synonyms  Source
alpha-D-galacto-hexopyranosyl-(1->6)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranoseSUBMITTER
Gal(a1-6)GlcNAc(a1-3)b-GalNAcSUBMITTER
Manual XrefsDatabases
G77767GGGlyTouCan
G77767GGGlyGen