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CHEBI:150280 - (2S,3R,4R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

ChEBI IDCHEBI:150280
ChEBI Name(2S,3R,4R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H21NO15S
Net Charge0
Average Mass475.381
Monoisotopic Mass475.06319
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@H]2OC(C(=O)O)=C(O)[C@H](O)[C@H]2O)[C@@H](COS(=O)(=O)O)O[C@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a21EEA-1b_1-5]/1-2/a4-b1
InChIInChI=1S/C14H21NO15S/c1-3(16)15-5-6(17)10(4(28-13(5)23)2-27-31(24,25)26)29-14-9(20)7(18)8(19)11(30-14)12(21)22/h4-7,9-10,13-14,17-20,23H,2H2,1H3,(H,15,16)(H,21,22)(H,24,25,26)/t4-,5-,6-,7+,9-,10-,13-,14+/m1/s1
InChIKeyIYSOGZMXTXLBGK-YUTXZUSBSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CHEBI:150280) is a amino sugar (CHEBI:28963)
Manual XrefsDatabases
G38424DNGlyTouCan
G38424DNGlyGen