EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:150870 - N-[(2R,3R,4R,5S,6R)-4-[(2S,3R,4S,6S)-3,4-Dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:150870
ChEBI NameN-[(2R,3R,4R,5S,6R)-4-[(2S,3R,4S,6S)-3,4-Dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H35NO14
Net Charge0
Average Mass513.493
Monoisotopic Mass513.20575
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a21d2h-1b_1-5][a1221m-1a_1-5]/1-2-3/a3-b1_a4-c1
InChIInChI=1S/C20H35NO14/c1-6-12(26)14(28)15(29)20(31-6)34-16-10(5-23)33-18(30)11(21-7(2)24)17(16)35-19-13(27)9(25)3-8(4-22)32-19/h6,8-20,22-23,25-30H,3-5H2,1-2H3,(H,21,24)/t6-,8-,9-,10+,11+,12+,13+,14+,15-,16+,17+,18+,19-,20-/m0/s1
InChIKeyUEOSPDMUWGGYMO-YKDGLYODSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-4-[(2S,3R,4S,6S)-3,4-Dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:150870) is a amino sugar (CHEBI:28963)
Synonyms  Source
4-deoxy-beta-D-xylo-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
4-deoxy-D-xylHex(b1-3)[Fuc(a1-4)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G43875OVGlyTouCan
G43875OVGlyGen