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CHEBI:150319 - (2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:150319
ChEBI Name(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H57N3O28
Net Charge0
Average Mass979.845
Monoisotopic Mass979.31286
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/2,5,4/[a2122h-1b_1-5_2*NCC/3=O][a2122A-1b_1-5]/1-2-1-2-1/a3-b1_b4-c1_c3-d1_d4-e1
InChIInChI=1S/C36H57N3O28/c1-7(43)37-13-19(49)16(46)10(4-40)60-33(13)64-26-20(50)23(53)36(67-28(26)30(54)55)63-25-15(39-9(3)45)34(61-12(6-42)18(25)48)65-27-21(51)22(52)35(66-29(27)31(56)57)62-24-14(38-8(2)44)32(58)59-11(5-41)17(24)47/h10-29,32-36,40-42,46-53,58H,4-6H2,1-3H3,(H,37,43)(H,38,44)(H,39,45)(H,54,55)(H,56,57)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,32-,33+,34+,35-,36-/m1/s1
InChIKeyJFQIIVDBCDAYBA-GEXFKIEGSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid (CHEBI:150319) is a amino sugar (CHEBI:28963)
Synonyms  Source
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
GlcNAc(b1-4)GlcA(b1-3)GlcNAc(b1-4)GlcA(b1-3)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G35556TWGlyTouCan
G35556TWGlyGen