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CHEBI:154120 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:154120
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC30H53N3O21
Net Charge0
Average Mass791.754
Monoisotopic Mass791.31716
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[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](CO)NC(C)=O)[C@@H]2NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/3,4,3/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-3/a3-b1_a6-c1_c3-d1
InChIInChI=1S/C30H53N3O21/c1-9(38)31-12(4-34)26(53-30-25(48)24(47)21(44)15(6-36)52-30)19(42)13(41)8-49-28-18(33-11(3)40)27(22(45)16(7-37)50-28)54-29-17(32-10(2)39)23(46)20(43)14(5-35)51-29/h12-30,34-37,41-48H,4-8H2,1-3H3,(H,31,38)(H,32,39)(H,33,40)/t12-,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+,29-,30-/m0/s1
InChIKeyIPUBLYMLDJBNNC-CJYNLOAQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:154120) is a N-acyl-hexosamine (CHEBI:21656)
Manual XrefsDatabases
G81797TXGlyTouCan
G81797TXGlyGen