EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:147705 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S)-5-[(1R)-1,2-Dihydroxyethyl]-2-[(3R,4S,5S,6R)-4-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:147705
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S)-5-[(1R)-1,2-Dihydroxyethyl]-2-[(3R,4S,5S,6R)-4-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC26H45NO21
Net Charge0
Average Mass707.632
Monoisotopic Mass707.24841
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O[C@H]3C(O)O[C@H](CO)[C@H](O)[C@@H]3O[C@H]3O[C@@H]([C@H](O)CO)[C@H](O)[C@H]3O)O[C@@H]([C@H](O)CO)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/3,4,3/[a2112h-1x_1-5][a2112h-1a_1-4][a2122h-1a_1-5_2*NCC/3=O]/1-2-3-2/a2-b1_a3-d1_b2-c1
InChIInChI=1S/C26H45NO21/c1-6(32)27-11-14(37)12(35)9(4-30)43-24(11)47-21-17(40)19(8(34)3-29)45-26(21)48-22-20(13(36)10(5-31)42-23(22)41)46-25-16(39)15(38)18(44-25)7(33)2-28/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12-,13+,14-,15-,16-,17+,18+,19+,20+,21-,22-,23?,24-,25-,26-/m1/s1
InChIKeyIKKMXLZMWWVKTD-UQRNCSQLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S)-5-[(1R)-1,2-Dihydroxyethyl]-2-[(3R,4S,5S,6R)-4-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:147705) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
GlcNAc(a1-2)Galf(a1-2)[Galf(a1-3)]GalSUBMITTER
2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->2)-alpha-D-galacto-hexofuranosyl-(1->2)-[alpha-D-galacto-hexofuranosyl-(1->3)]-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G14551OFGlyTouCan
G14551OFGlyGen