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CHEBI:150049 - N-[(3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:150049
ChEBI NameN-[(3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H37NO15
Net Charge0
Average Mass543.519
Monoisotopic Mass543.21632
SMILESCO[C@H]1[C@H](O[C@H]2[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](CO)OC(O)[C@@H]2NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5_2*OC][a1221m-1a_1-5]/1-2-3/a3-b1_a4-c1
InChIInChI=1S/C21H37NO15/c1-6-11(26)13(28)15(30)20(33-6)36-16-9(5-24)34-19(31)10(22-7(2)25)17(16)37-21-18(32-3)14(29)12(27)8(4-23)35-21/h6,8-21,23-24,26-31H,4-5H2,1-3H3,(H,22,25)/t6-,8+,9+,10+,11+,12-,13+,14-,15-,16+,17+,18+,19?,20-,21-/m0/s1
InChIKeyPJQKXPSIQDMAFM-QQRNEDTNSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:150049) is a amino sugar (CHEBI:28963)
Synonyms  Source
2-O-methyl-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Gal2Me(b1-3)[Fuc(a1-4)]GlcNAcSUBMITTER
Manual XrefsDatabases
G37410BNGlyTouCan
G37410BNGlyGen