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CHEBI:150717 - N-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(methoxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:150717
ChEBI NameN-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(methoxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H37NO15
Net Charge0
Average Mass543.519
Monoisotopic Mass543.21632
SMILESCOC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5_6*OC][a1221m-1a_1-5]/1-2-3/a4-b1_b2-c1
InChIInChI=1S/C21H37NO15/c1-6-11(25)14(28)16(30)20(33-6)37-18-15(29)12(26)9(5-32-3)35-21(18)36-17-8(4-23)34-19(31)10(13(17)27)22-7(2)24/h6,8-21,23,25-31H,4-5H2,1-3H3,(H,22,24)/t6-,8+,9+,10+,11+,12-,13+,14+,15-,16-,17+,18+,19?,20-,21-/m0/s1
InChIKeyKHXIHESGMLMMBR-FAKMSTELSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(methoxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:150717) is a amino sugar (CHEBI:28963)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-6-O-methyl-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-2)Gal6Me(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G39966JQGlyTouCan
G39966JQGlyGen