EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:151306 - N-[(2S,3R,4S,5R)-1,3,5,6-Tetrahydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexan-2-yl]acetamide

ChEBI IDCHEBI:151306
ChEBI NameN-[(2S,3R,4S,5R)-1,3,5,6-Tetrahydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexan-2-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC26H47NO21
Net Charge0
Average Mass709.648
Monoisotopic Mass709.26406
SMILESCC(=O)N[C@@H](CO)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)CO
WURCSWURCS=2.0/3,4,3/[h2122h_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-3/a4-b1_b6-c1_c6-d1
InChIInChI=1S/C26H47NO21/c1-7(31)27-8(2-28)13(33)23(9(32)3-29)48-26-22(42)19(39)16(36)12(47-26)6-44-25-21(41)18(38)15(35)11(46-25)5-43-24-20(40)17(37)14(34)10(4-30)45-24/h8-26,28-30,32-42H,2-6H2,1H3,(H,27,31)/t8-,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23+,24-,25-,26-/m0/s1
InChIKeyMPHNRWLHEVWPEX-BMQBZLMUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4S,5R)-1,3,5,6-Tetrahydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexan-2-yl]acetamide (CHEBI:151306) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G47282ZJGlyTouCan
G47282ZJGlyGen