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CHEBI:154274 - N-[(3R,4R,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:154274
ChEBI NameN-[(3R,4R,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,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](CO)[C@@H](OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@@H](O)[C@H](O)CO
WURCSWURCS=2.0/3,3,2/[h2112h_2*NCC/3=O][a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3/a3-b1_b4-c1
InChIInChI=1S/C22H40N2O16/c1-7(29)23-9(3-25)19(14(32)10(31)4-26)39-21-13(24-8(2)30)16(34)20(12(6-28)38-21)40-22-18(36)17(35)15(33)11(5-27)37-22/h9-22,25-28,31-36H,3-6H2,1-2H3,(H,23,29)(H,24,30)/t9-,10+,11+,12+,13+,14-,15-,16+,17-,18+,19+,20+,21?,22-/m0/s1
InChIKeyPURHKOKUYMVKNT-ITWZLMINSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,4R,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:154274) is a N-acyl-hexosamine (CHEBI:21656)
Manual XrefsDatabases
G76385PDGlyTouCan
G76385PDGlyGen