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CHEBI:152000 - N-[(3R,4R,5R,6R)-2-Hydroxy-6-(hydroxymethyl)-4,5-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-3-yl]acetamide

ChEBI IDCHEBI:152000
ChEBI NameN-[(3R,4R,5R,6R)-2-Hydroxy-6-(hydroxymethyl)-4,5-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H35NO16
Net Charge0
Average Mass545.491
Monoisotopic Mass545.19558
SMILESCC(=O)N[C@H]1C(O)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[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/2,3,2/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-2/a3-b1_a4-c1
InChIInChI=1S/C20H35NO16/c1-5(25)21-9-17(37-20-15(31)13(29)11(27)7(3-23)35-20)16(8(4-24)33-18(9)32)36-19-14(30)12(28)10(26)6(2-22)34-19/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11+,12+,13+,14-,15-,16+,17-,18?,19+,20+/m1/s1
InChIKeyLYDZFUBFIMTEOS-DSLSPMKCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,4R,5R,6R)-2-Hydroxy-6-(hydroxymethyl)-4,5-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-3-yl]acetamide (CHEBI:152000) is a amino sugar (CHEBI:28963)
Synonyms  Source
Gal(b1-3)[Gal(b1-4)]GalNAcSUBMITTER
beta-D-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G50977JRGlyTouCan
G50977JRGlyGen