EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:153309 - N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexoxy]oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:153309
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexoxy]oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H50N2O21
Net Charge0
Average Mass750.701
Monoisotopic Mass750.29061
SMILESCC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/3,4,3/[h2112h][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-2/a6-b1_b4-c1_c3-d1
InChIInChI=1S/C28H50N2O21/c1-8(35)29-15-21(43)19(41)12(4-32)47-27(15)51-25-20(42)13(5-33)48-28(23(25)45)50-24-14(6-34)49-26(16(22(24)44)30-9(2)36)46-7-11(38)18(40)17(39)10(37)3-31/h10-28,31-34,37-45H,3-7H2,1-2H3,(H,29,35)(H,30,36)/t10-,11+,12+,13+,14+,15+,16+,17+,18-,19+,20-,21+,22+,23+,24+,25-,26+,27-,28-/m0/s1
InChIKeyDOKWCMYCGAQNLM-YCVIVVSJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexoxy]oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:153309) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G69538JTGlyTouCan
G69538JTGlyGen