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CHEBI:152760 - (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2S,3S,4S,5R)-2-carboxy-3,5,6-trihydroxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:152760
ChEBI Name(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2S,3S,4S,5R)-2-carboxy-3,5,6-trihydroxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H31NO18
Net Charge0
Average Mass573.457
Monoisotopic Mass573.15411
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](C(=O)O)OC(O)[C@@H]2O)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=2.0/3,3,2/[a2122A-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2122A-1b_1-5]/1-2-3/a3-b1_b4-c1
InChIInChI=1S/C20H31NO18/c1-3(23)21-5-6(24)12(37-20-9(27)7(25)8(26)14(39-20)16(30)31)4(2-22)35-19(5)38-13-10(28)15(17(32)33)36-18(34)11(13)29/h4-15,18-20,22,24-29,34H,2H2,1H3,(H,21,23)(H,30,31)(H,32,33)/t4-,5-,6-,7+,8+,9-,10+,11-,12-,13+,14+,15+,18?,19+,20-/m1/s1
InChIKeyYKEIYCAYUCUJPH-QERZYFMISA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2S,3S,4S,5R)-2-carboxy-3,5,6-trihydroxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:152760) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
beta-D-gluco-hexopyranosyluronic acid-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-D-gluco-hexopyranuronic acidSUBMITTER
GlcA(b1-4)GlcNAc(b1-3)GlcASUBMITTER
Manual XrefsDatabases
G66263GGGlyTouCan
G66263GGGlyGen