EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:150227 - N-[(3R,4R,5S,6R)-2,4-Dihydroxy-5-[(2S,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:150227
ChEBI NameN-[(3R,4R,5S,6R)-2,4-Dihydroxy-5-[(2S,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H37NO15
Net Charge0
Average Mass543.519
Monoisotopic Mass543.21632
SMILESCO[C@@H]1[C@H](O)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@@H]1CO
WURCSWURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5_4*OC][a1221m-1a_1-5]/1-2-3/a4-b1_b2-c1
InChIInChI=1S/C21H37NO15/c1-6-11(26)13(28)14(29)20(33-6)37-18-15(30)16(32-3)8(4-23)35-21(18)36-17-9(5-24)34-19(31)10(12(17)27)22-7(2)25/h6,8-21,23-24,26-31H,4-5H2,1-3H3,(H,22,25)/t6-,8+,9+,10+,11+,12+,13+,14-,15-,16-,17+,18+,19?,20-,21-/m0/s1
InChIKeyDOMWLMFIDZIILQ-ANUMYEBPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,4R,5S,6R)-2,4-Dihydroxy-5-[(2S,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:150227) is a amino sugar (CHEBI:28963)
Synonyms  Source
Fuc(a1-2)Gal4Me(b1-4)GlcNAcSUBMITTER
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-4-O-methyl-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G38097FXGlyTouCan
G38097FXGlyGen