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CHEBI:154341 - [(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

ChEBI IDCHEBI:154341
ChEBI Name[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H27NO14S
Net Charge0
Average Mass465.430
Monoisotopic Mass465.11523
SMILESCC(=O)N[C@@H](CO)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O)[C@@H](O)[C@H](O)CO
WURCSWURCS=2.0/2,2,1/[h2112h_2*NCC/3=O][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2/a3-b1
InChIInChI=1S/C14H27NO14S/c1-5(19)15-6(2-16)12(9(21)7(20)3-17)28-14-11(23)13(29-30(24,25)26)10(22)8(4-18)27-14/h6-14,16-18,20-23H,2-4H2,1H3,(H,15,19)(H,24,25,26)/t6-,7+,8+,9-,10-,11+,12+,13-,14-/m0/s1
InChIKeyZTJPEHZVSYTFHT-RMNGOQLYSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate (CHEBI:154341) is a O-acyl carbohydrate (CHEBI:52782)
Manual XrefsDatabases
G88356CVGlyTouCan
G88356CVGlyGen