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CHEBI:150356 - (2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2R,3R,4R,5S,6S)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:150356
ChEBI Name(2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2R,3R,4R,5S,6S)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-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]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]3CO)O[C@@H]2C(=O)O)O[C@H](CO)[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]3NC(C)=O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/3,5,4/[a2122h-1x_1-5_2*NCC/3=O][a2122A-1b_1-5][a2122h-1a_1-5_2*NCC/3=O]/1-2-3-2-3/a4-b1_b4-c1_c4-d1_d4-e1
InChIInChI=1S/C36H57N3O28/c1-7(43)37-13-18(48)24(11(5-41)59-32(13)58)62-35-22(52)21(51)27(29(66-35)31(56)57)65-34-15(39-9(3)45)19(49)25(12(6-42)61-34)63-36-23(53)20(50)26(28(67-36)30(54)55)64-33-14(38-8(2)44)17(47)16(46)10(4-40)60-33/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
InChIKeyLIVPDIBHXARCFI-DQMOVXEDSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2R,3R,4R,5S,6S)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid (CHEBI:150356) is a amino sugar (CHEBI:28963)
Synonyms  Source
2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyluronic acid-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyluronic acid-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
GlcNAc(a1-4)GlcA(b1-4)GlcNAc(a1-4)GlcA(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G35692WEGlyTouCan
G35692WEGlyGen