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CHEBI:148740 - N-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:148740
ChEBI NameN-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H48N2O21
Net Charge0
Average Mass748.685
Monoisotopic Mass748.27496
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/4,4,3/[a2122h-1b_1-5_2*NCC/3=O][a2122h-1a_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4/a4-b1_b4-c1_c4-d1
InChIInChI=1S/C28H48N2O21/c1-7(35)29-13-16(38)22(10(4-32)45-25(13)44)49-26-14(30-8(2)36)17(39)23(11(5-33)47-26)50-28-21(43)19(41)24(12(6-34)48-28)51-27-20(42)18(40)15(37)9(3-31)46-27/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
InChIKeyVULCONBIYWDUGK-AUGXFDOPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:148740) is a amino sugar (CHEBI:28963)
Synonyms  Source
Man(a1-4)Man(b1-4)GlcNAc(a1-4)b-GlcNAcSUBMITTER
alpha-D-manno-hexopyranosyl-(1->4)-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G23782GUGlyTouCan
G23782GUGlyGen