EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:154747 - N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3S,4R,5R,6S)-3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:154747
ChEBI NameN-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3S,4R,5R,6S)-3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-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]2[C@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@H](O)[C@@H]2O)O[C@@H](C)[C@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5_3*OC]/1-2-3/a4-b1_b2-c1
InChIInChI=1S/C21H37NO15/c1-6-11(26)17(32-3)15(30)20(33-6)37-18-14(29)12(27)8(4-23)35-21(18)36-16-9(5-24)34-19(31)10(13(16)28)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
InChIKeyPBZFUXVXLDIRPU-PQEMEVISSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3S,4R,5R,6S)-3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:154747) is a amino sugar (CHEBI:28963)
Synonyms  Source
6-deoxy-3-O-methyl-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
Fuc3Me(a1-2)Gal(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G90121OLGlyTouCan
G90121OLGlyGen