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CHEBI:154911 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:154911
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H38N2O16
Net Charge0
Average Mass586.544
Monoisotopic Mass586.22213
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
WURCSWURCS=2.0/2,3,2/[a1122h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-2/a4-b1_b4-c1
InChIInChI=1S/C22H38N2O16/c1-6(28)23-11-14(31)13(30)8(3-25)37-21(11)39-18-10(5-27)38-22(12(15(18)32)24-7(2)29)40-19-9(4-26)36-20(35)17(34)16(19)33/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18-,19-,20-,21+,22+/m1/s1
InChIKeySQEMLOTUROZFIO-YVSBGJLMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:154911) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-manno-hexopyranoseSUBMITTER
GlcNAc(b1-4)GlcNAc(b1-4)b-ManSUBMITTER
Manual XrefsDatabases
G90853AMGlyTouCan
G90853AMGlyGen