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CHEBI:154549 - (2S,3S,4R,5R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:154549
ChEBI Name(2S,3S,4R,5R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H23NO12
Net Charge0
Average Mass397.333
Monoisotopic Mass397.12203
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122A-1x_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2/a4-b1
InChIInChI=1S/C14H23NO12/c1-3(17)15-5-7(19)6(18)4(2-16)25-14(5)27-10-8(20)9(21)13(24)26-11(10)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
InChIKeyLJKKEBYAXYCTNF-YVHVJGATSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4R,5R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid (CHEBI:154549) is a N-acyl-hexosamine (CHEBI:21656)
Synonyms  Source
GlcNAc(b1-4)GlcASUBMITTER
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-D-gluco-hexopyranuronic acidSUBMITTER
Manual XrefsDatabases
G86299UPGlyTouCan
G86299UPGlyGen