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CHEBI:153045 - N-[(2R,3R,4R,5S,6R)-2,4-Dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide

ChEBI IDCHEBI:153045
ChEBI NameN-[(2R,3R,4R,5S,6R)-2,4-Dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H35NO16
Net Charge0
Average Mass545.491
Monoisotopic Mass545.19558
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5]/1-2-3/a4-b1_a6-c1
InChIInChI=1S/C20H35NO16/c1-5(24)21-9-12(27)17(37-20-16(31)14(29)11(26)7(3-23)36-20)8(34-18(9)32)4-33-19-15(30)13(28)10(25)6(2-22)35-19/h6-20,22-23,25-32H,2-4H2,1H3,(H,21,24)/t6-,7-,8-,9-,10-,11+,12-,13+,14+,15-,16-,17-,18-,19-,20+/m1/s1
InChIKeyKHTHLGQKFOOYKX-BMKWQZOJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2,4-Dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide (CHEBI:153045) is a amino sugar (CHEBI:28963)
Synonyms  Source
Gal(b1-4)[Glc(b1-6)]b-GlcNAcSUBMITTER
beta-D-galacto-hexopyranosyl-(1->4)-[beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G67925ASGlyTouCan
G67925ASGlyGen