EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:150532 - (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-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide

ChEBI IDCHEBI:150532
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-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC23H40N2O18
Net Charge0
Average Mass632.569
Monoisotopic Mass632.22761
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](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(N)=O)C[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_1*N_5*NCC/3=O]/1-2-3/a4-b1_b3-c2
InChIInChI=1S/C23H40N2O18/c1-6(29)25-11-7(30)2-23(22(24)38,42-18(11)12(32)8(31)3-26)43-19-13(33)9(4-27)40-21(16(19)36)41-17-10(5-28)39-20(37)15(35)14(17)34/h7-21,26-28,30-37H,2-5H2,1H3,(H2,24,38)(H,25,29)/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20+,21-,23-/m0/s1
InChIKeyGUDLFMJKJACXKR-UITFWXMXSA-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-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide (CHEBI:150532) is a amino sugar (CHEBI:28963)
Manual XrefsDatabases
G41859KEGlyTouCan
G41859KEGlyGen