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CHEBI:152455 - N-[(2R,3R,4R,5S,6R)-4-Hydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxyhexoxy)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Default Structure
ChEBI IDCHEBI:152455
ChEBI NameN-[(2R,3R,4R,5S,6R)-4-Hydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxyhexoxy)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H37NO16
Net Charge0
Average Mass547.507
Monoisotopic Mass547.21123
SMILESCC(=O)N[C@H]1[C@H](OCC(O)C(O)C(O)C(O)CO)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/[hxxxxh][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3/a6-b1_b4-c1
InChIInChI=1S/C20H37NO16/c1-6(25)21-11-15(31)18(37-20-17(33)16(32)14(30)9(3-23)35-20)10(4-24)36-19(11)34-5-8(27)13(29)12(28)7(26)2-22/h7-20,22-24,26-33H,2-5H2,1H3,(H,21,25)/t7?,8?,9-,10-,11-,12?,13?,14+,15-,16+,17-,18-,19-,20+/m1/s1
InChIKeyWOXIFCQJUTXPKT-XWDFZCSLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-4-Hydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxyhexoxy)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:152455) is a N-acyl-hexosamine (CHEBI:21656)
Manual XrefsDatabases
G59448EYGlyGen
G59448EYGlyTouCan