EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:146669 - β-D-GalpNAc-(1→3)-α-D-Galp-(1→3)-β-D-Galp-(1→3)-β-D-Glcp

ChEBI IDCHEBI:146669
ChEBI Nameβ-D-GalpNAc-(1→3)-α-D-Galp-(1→3)-β-D-Galp-(1→3)-β-D-Glcp
Stars
ASCII Namebeta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->3)-beta-D-Galp-(1->3)-beta-D-Glcp
DefinitionAn amino tetrasaccharide consisting of 2-acetamido-β-D-galactopyranosyl, α-D-galactopyranosyl, β-D-galactopyranosyl and β-D-glucopyranosyl residues joined in sequence by (1→3) glycosidic bonds.
Last Modified7 April 2020
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](CO)O[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](O)[C@H](O)O[C@H](CO)[C@H]4O)[C@@H]3O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/4,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4/a3-b1_b3-c1_c3-d1
InChIInChI=1S/C26H45NO21/c1-6(32)27-11-16(37)12(33)7(2-28)43-24(11)46-21-14(35)9(4-30)45-26(18(21)39)48-22-15(36)10(5-31)44-25(19(22)40)47-20-13(34)8(3-29)42-23(41)17(20)38/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
InChIKeyXWZCXXPWDQXNOP-JYNGQODZSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GalpNAc-(1→3)-α-D-Galp-(1→3)-β-D-Galp-(1→3)-β-D-Glcp (CHEBI:146669) is a acetamides (CHEBI:22160)
β-D-GalpNAc-(1→3)-α-D-Galp-(1→3)-β-D-Galp-(1→3)-β-D-Glcp (CHEBI:146669) is a amino tetrasaccharide (CHEBI:59412)
IUPAC Names 
GalNAc(b1-3)Gal(a1-3)Gal(b1-3)b-Glc
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→3)-α-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→3)-β-D-glucopyranose
Synonyms  Source
2-acetamido-2-deoxy-β-D-galacto-hexopyranosyl-(1→3)-α-D-galacto-hexopyranosyl-(1→3)-β-D-galacto-hexopyranosyl-(1→3)-β-D-gluco-hexopyranoseIUPAC
N-[(2S,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G02402HFGlyTouCan
G02402HFGlyGen