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CHEBI:153466 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-2,3,6-trihydroxy-4-[(2R,3R,4R,5S,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:153466
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-2,3,6-trihydroxy-4-[(2R,3R,4R,5S,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H60N2O26
Net Charge0
Average Mass912.842
Monoisotopic Mass912.34343
SMILESCC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](CO)NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/3,5,4/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-2-2-3/a3-b1_a6-e1_b3-c1_b4-d1
InChIInChI=1S/C34H60N2O26/c1-9(42)35-11(3-37)28(18(45)12(44)8-55-31-17(36-10(2)43)22(49)19(46)13(4-38)56-31)60-34-27(54)30(62-33-26(53)24(51)21(48)15(6-40)58-33)29(16(7-41)59-34)61-32-25(52)23(50)20(47)14(5-39)57-32/h11-34,37-41,44-54H,3-8H2,1-2H3,(H,35,42)(H,36,43)/t11-,12+,13+,14+,15+,16+,17+,18-,19+,20-,21-,22+,23-,24-,25+,26+,27+,28+,29-,30+,31+,32-,33-,34-/m0/s1
InChIKeyGNGYDBRADYPLPB-PDOAURLGSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-2,3,6-trihydroxy-4-[(2R,3R,4R,5S,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:153466) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G73184QRGlyTouCan
G73184QRGlyGen