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CHEBI:153213 - N-[(3R,4R,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide

ChEBI IDCHEBI:153213
ChEBI NameN-[(3R,4R,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H38N2O16
Net Charge0
Average Mass586.544
Monoisotopic Mass586.22213
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O)[C@H]2O)O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3/a6-b1_b4-c1
InChIInChI=1S/C22H38N2O16/c1-6(27)23-11-15(31)14(30)10(37-20(11)35)5-36-21-12(24-7(2)28)16(32)19(9(4-26)39-21)40-22-18(34)17(33)13(29)8(3-25)38-22/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
InChIKeyUOSDMMIGEKZXMK-OCQBMYQYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,4R,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide (CHEBI:153213) is a amino sugar (CHEBI:28963)
Synonyms  Source
Gal(b1-4)GalNAc(b1-6)GalNAcSUBMITTER
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->6)-2-acetamido-2-deoxy-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G69015PKGlyTouCan
G69015PKGlyGen