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CHEBI:157411 - N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Default Structure
ChEBI IDCHEBI:157411
ChEBI NameN-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
Last Modified20 April 2021
SubmitterGareth Owen
DownloadsMolfile
FormulaC33H56N2O25
Net Charge0
Average Mass880.800
Monoisotopic Mass880.31722
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C33H56N2O25/c1-8(40)34-15-20(45)26(12(5-38)53-29(15)51)58-30-16(35-9(2)41)21(46)27(13(6-39)56-30)59-33-28(60-32-24(49)18(43)11(4-37)55-32)23(48)19(44)14(57-33)7-52-31-25(50)22(47)17(42)10(3-36)54-31/h10-33,36-39,42-51H,3-7H2,1-2H3,(H,34,40)(H,35,41)/t10-,11-,12-,13-,14-,15-,16-,17-,18+,19-,20-,21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31+,32+,33+/m1/s1
InChIKeyLFTNYKHKNSXIKA-PLUCNDAESA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:157411) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Manual XrefsDatabases
G16786OYGlyGen
G16786OYGlyTouCan