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CHEBI:154932 - N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-2,3,4,6-tetrahydroxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:154932
ChEBI NameN-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-2,3,4,6-tetrahydroxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H30N2O11
Net Charge0
Average Mass426.419
Monoisotopic Mass426.18496
SMILESCC(=O)N[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/2,2,1/[h2112h_2*NCC/3=O][a2122h-1x_1-5_2*NCC/3=O]/1-2/a6-b1
InChIInChI=1S/C16H30N2O11/c1-6(21)17-8(3-19)12(24)13(25)9(23)5-28-16-11(18-7(2)22)15(27)14(26)10(4-20)29-16/h8-16,19-20,23-27H,3-5H2,1-2H3,(H,17,21)(H,18,22)/t8-,9+,10+,11+,12+,13-,14+,15+,16?/m0/s1
InChIKeyBHCUEPLIIPEYLX-JBRRKHTASA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-2,3,4,6-tetrahydroxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:154932) is a N-acyl-hexosamine (CHEBI:21656)
Manual XrefsDatabases
G90936JJGlyTouCan
G90936JJGlyGen