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CHEBI:154934 - N-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:154934
ChEBI NameN-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC26H45NO20
Net Charge0
Average Mass691.633
Monoisotopic Mass691.25349
SMILESCC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/4,4,3/[a2122h-1x_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5][a2112h-1a_1-5]/1-2-3-4/a3-b1_a4-c1_c3-d1
InChIInChI=1S/C26H45NO20/c1-6-12(32)15(35)17(37)24(41-6)46-21-11(27-7(2)31)23(40)42-10(5-30)20(21)45-26-19(39)22(14(34)9(4-29)44-26)47-25-18(38)16(36)13(33)8(3-28)43-25/h6,8-26,28-30,32-40H,3-5H2,1-2H3,(H,27,31)/t6-,8+,9+,10+,11+,12+,13-,14-,15+,16-,17-,18+,19+,20+,21+,22-,23?,24-,25+,26-/m0/s1
InChIKeyWVQFNDOCPKKOKN-RHSKNAJRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:154934) is a amino sugar (CHEBI:28963)
Synonyms  Source
alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Gal(a1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAcSUBMITTER
Manual XrefsDatabases
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