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CHEBI:149136 - N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-6-[(3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:149136
ChEBI NameN-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-6-[(3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H48N2O21
Net Charge0
Average Mass748.685
Monoisotopic Mass748.27496
SMILESCC(=O)N[C@H]1C(O[C@@H]2[C@H](O)[C@@H](O)C(O[C@H]3[C@@H](O)[C@@H](CO)OC(O)[C@@H]3NC(C)=O)O[C@@H]2CO)O[C@H](CO)[C@@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/4,4,3/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1x_1-5][a2122h-1x_1-5_2*NCC/3=O][a2122h-1x_1-5]/1-2-3-4/a3-b1_b4-c1_c4-d1
InChIInChI=1S/C28H48N2O21/c1-7(35)29-13-17(39)22(50-27-20(42)18(40)15(37)9(3-31)46-27)11(5-33)47-26(13)49-23-12(6-34)48-28(21(43)19(23)41)51-24-14(30-8(2)36)25(44)45-10(4-32)16(24)38/h9-28,31-34,37-44H,3-6H2,1-2H3,(H,29,35)(H,30,36)/t9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19-,20-,21-,22-,23+,24-,25?,26?,27?,28?/m1/s1
InChIKeyHRQVSFVVMXWQPE-GVDHMJQMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-6-[(3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:149136) is a amino sugar (CHEBI:28963)
Synonyms  Source
D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranoseSUBMITTER
Glc(?1-4)GlcNAc(?1-4)Gal(?1-3)GalNAcSUBMITTER
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