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CHEBI:155403 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-2,3,4,6-tetrahydroxyhexoxy]-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:155403
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-2,3,4,6-tetrahydroxyhexoxy]-5-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
FormulaC22H40N2O16
Net Charge0
Average Mass588.560
Monoisotopic Mass588.23778
SMILESCC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[C@H](O)[C@H](CO)NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/3,3,2/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3/a6-b1_b3-c1
InChIInChI=1S/C22H40N2O16/c1-7(28)23-9(3-25)14(31)15(32)10(30)6-37-21-13(24-8(2)29)20(17(34)12(5-27)38-21)40-22-19(36)18(35)16(33)11(4-26)39-22/h9-22,25-27,30-36H,3-6H2,1-2H3,(H,23,28)(H,24,29)/t9-,10+,11+,12+,13+,14+,15-,16-,17+,18-,19+,20+,21+,22-/m0/s1
InChIKeyOOAXLQOPVMCJOT-CNXJRYOBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-2,3,4,6-tetrahydroxyhexoxy]-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:155403) is a N-acyl-hexosamine (CHEBI:21656)
Manual XrefsDatabases
G92594CBGlyTouCan
G92594CBGlyGen