EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:149237 - N-[(2S,3R,4S,5R)-1,4,5,6-Tetrahydroxy-3-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyhexan-2-yl]acetamide

ChEBI IDCHEBI:149237
ChEBI NameN-[(2S,3R,4S,5R)-1,4,5,6-Tetrahydroxy-3-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyhexan-2-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC26H47NO20
Net Charge0
Average Mass693.649
Monoisotopic Mass693.26914
SMILESCC(=O)N[C@@H](CO)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)[C@H](O)CO
WURCSWURCS=2.0/4,4,3/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5]/1-2-3-4/a3-b1_b2-c1_b3-d1
InChIInChI=1S/C26H47NO20/c1-7-13(34)17(38)19(40)24(42-7)47-23-22(46-25-20(41)18(39)15(36)11(5-30)43-25)16(37)12(6-31)44-26(23)45-21(14(35)10(33)4-29)9(3-28)27-8(2)32/h7,9-26,28-31,33-41H,3-6H2,1-2H3,(H,27,32)/t7-,9-,10+,11+,12+,13+,14-,15-,16-,17+,18-,19-,20+,21+,22-,23+,24-,25+,26-/m0/s1
InChIKeyAZDNSYNPSKDTNA-GSIGSVRUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4S,5R)-1,4,5,6-Tetrahydroxy-3-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyhexan-2-yl]acetamide (CHEBI:149237) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G32112SXGlyTouCan
G32112SXGlyGen