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CHEBI:154662 - N-[(2R,3R,4R,5S,6R)-5-[(2S,3S,5S,6S)-3,5-Dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:154662
ChEBI NameN-[(2R,3R,4R,5S,6R)-5-[(2S,3S,5S,6S)-3,5-Dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H35NO14
Net Charge0
Average Mass513.493
Monoisotopic Mass513.20575
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)C[C@@H]2O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1d21m-1a_1-5]/1-2-3/a3-b1_a4-c1
InChIInChI=1S/C20H35NO14/c1-6-8(25)3-9(26)19(31-6)34-16-11(5-23)32-18(30)12(21-7(2)24)17(16)35-20-15(29)14(28)13(27)10(4-22)33-20/h6,8-20,22-23,25-30H,3-5H2,1-2H3,(H,21,24)/t6-,8-,9-,10+,11+,12+,13-,14-,15+,16+,17+,18+,19-,20-/m0/s1
InChIKeyBUKQTTMTAOLTDQ-OGGFWIATSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-5-[(2S,3S,5S,6S)-3,5-Dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:154662) is a amino sugar (CHEBI:28963)
Synonyms  Source
Gal(b1-3)[Col(a1-4)]b-GlcNAcSUBMITTER
beta-D-galacto-hexopyranosyl-(1->3)-[3,6-dideoxy-alpha-L-xylo-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G89640BOGlyTouCan
G89640BOGlyGen