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CHEBI:148197 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,4,6-trihydroxyhexan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:148197
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,4,6-trihydroxyhexan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H60N2O25
Net Charge0
Average Mass896.843
Monoisotopic Mass896.34852
SMILESCC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/4,5,4/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-3-4/a4-b1_a6-d1_b3-c1_d2-e1
InChIInChI=1S/C34H60N2O25/c1-9-18(44)23(49)26(52)32(55-9)61-30-25(51)21(47)15(6-39)58-34(30)54-8-13(43)28(19(45)12(4-37)35-10(2)41)59-31-17(36-11(3)42)29(22(48)16(7-40)56-31)60-33-27(53)24(50)20(46)14(5-38)57-33/h9,12-34,37-40,43-53H,4-8H2,1-3H3,(H,35,41)(H,36,42)/t9-,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
InChIKeyXOWDFXGQMHEPFQ-VTVHIPFRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,4,6-trihydroxyhexan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:148197) is a N-acyl-hexosamine (CHEBI:21656)
Manual XrefsDatabases
G19534EEGlyTouCan
G19534EEGlyGen