EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:154824 - (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-N-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide

ChEBI IDCHEBI:154824
ChEBI Name(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-N-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC24H42N2O18
Net Charge0
Average Mass646.596
Monoisotopic Mass646.24326
SMILESCNC(=O)[C@@]1(O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1
WURCSWURCS=2.0/3,3,2/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_1*NC_5*NCC/3=O]/1-2-3/a4-b1_b3-c2
InChIInChI=1S/C24H42N2O18/c1-7(30)26-12-8(31)3-24(23(39)25-2,43-19(12)13(33)9(32)4-27)44-20-14(34)10(5-28)41-22(17(20)37)42-18-11(6-29)40-21(38)16(36)15(18)35/h8-22,27-29,31-38H,3-6H2,1-2H3,(H,25,39)(H,26,30)/t8-,9+,10+,11+,12+,13+,14-,15+,16+,17+,18+,19+,20-,21+,22-,24-/m0/s1
InChIKeyPMLKLTURDZVQFG-YQJFHFFOSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-N-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide (CHEBI:154824) is a amino sugar (CHEBI:28963)
Manual XrefsDatabases
G90417DHGlyTouCan
G90417DHGlyGen