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CHEBI:147988 - N-[(2R,3R,4R,5S,6R)-2,5-Dihydroxy-4-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:147988
ChEBI NameN-[(2R,3R,4R,5S,6R)-2,5-Dihydroxy-4-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC26H45NO19
Net Charge0
Average Mass675.634
Monoisotopic Mass675.25858
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-3/a3-b1_b2-c1_b4-d1
InChIInChI=1S/C26H45NO19/c1-6-12(31)15(34)17(36)24(40-6)44-20-10(5-29)43-26(22(19(20)38)46-25-18(37)16(35)13(32)7(2)41-25)45-21-11(27-8(3)30)23(39)42-9(4-28)14(21)33/h6-7,9-26,28-29,31-39H,4-5H2,1-3H3,(H,27,30)/t6-,7-,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21+,22+,23+,24-,25-,26-/m0/s1
InChIKeyAGXZCLVWPJZHKD-GTILECPISA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2,5-Dihydroxy-4-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:147988) is a amino sugar (CHEBI:28963)
Synonyms  Source
Fuc(a1-2)[Fuc(a1-4)]Gal(b1-3)b-GlcNAcSUBMITTER
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G13016DYGlyTouCan
G13016DYGlyGen