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CHEBI:153614 - (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-Acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:153614
ChEBI Name(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-Acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H23NO12
Net Charge0
Average Mass397.333
Monoisotopic Mass397.12203
SMILESCC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NCC/3=O][a2122A-1b_1-5]/1-2/a4-b1
InChIInChI=1S/C14H23NO12/c1-3(17)15-5-6(18)10(4(2-16)25-13(5)24)26-14-9(21)7(19)8(20)11(27-14)12(22)23/h4-11,13-14,16,18-21,24H,2H2,1H3,(H,15,17)(H,22,23)/t4-,5-,6-,7+,8+,9-,10-,11+,13?,14-/m1/s1
InChIKeyCTOILUIGUWLSNU-ASXIHULMSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-Acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:153614) is a amino sugar (CHEBI:28963)
Synonyms  Source
beta-D-gluco-hexopyranosyluronic acid-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
GlcA(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G79729FHGlyTouCan
G79729FHGlyGen