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CHEBI:148362 - N-[(2S,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-2-[(2R,3R,4R,5R)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:148362
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-2-[(2R,3R,4R,5R)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC46H80N2O36
Net Charge0
Average Mass1237.124
Monoisotopic Mass1236.44908
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[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]3NC(C)=O)[C@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/4,7,6/[h1122h][a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-4-2-3-4/a3-b1_a6-e1_b2-c1_c4-d1_e2-f1_f4-g1
InChIInChI=1S/C46H80N2O36/c1-11(56)47-21-28(65)37(81-43-34(71)30(67)24(61)15(4-50)74-43)19(8-54)78-41(21)83-39-32(69)26(63)17(6-52)76-45(39)73-10-14(59)23(60)36(13(58)3-49)80-46-40(33(70)27(64)18(7-53)77-46)84-42-22(48-12(2)57)29(66)38(20(9-55)79-42)82-44-35(72)31(68)25(62)16(5-51)75-44/h13-46,49-55,58-72H,3-10H2,1-2H3,(H,47,56)(H,48,57)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25+,26-,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37-,38-,39+,40+,41+,42+,43+,44+,45+,46-/m1/s1
InChIKeyNVTXVWHDCCNPIE-ZTRKRLQWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-2-[(2R,3R,4R,5R)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:148362) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G21541CKGlyTouCan
G63389BNGlyTouCan
G21541CKGlyGen