CHEBI:63013 - β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-D-Glcp

ChEBI IDCHEBI:63013
ChEBI Nameβ-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-D-Glcp
Stars
ASCII Namebeta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-D-Glcp
DefinitionA linear amino tetrasaccharide consisting of D-glucose at the reducing end having an N-acetyl-β-D-galactosaminyl-(1→3)-α-D-galactosyl-(1→4)-β-D-galactosyl moiety attached at the 4-position.
Last Modified13 April 2021
SubmitterSteve
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](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/4,4,3/[a2122h-1x_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4/a4-b1_b4-c1_c3-d1
InChIInChI=1S/C26H45NO21/c1-6(32)27-11-14(35)12(33)7(2-28)43-24(11)48-22-13(34)8(3-29)44-26(19(22)40)47-21-10(5-31)45-25(18(39)16(21)37)46-20-9(4-30)42-23(41)17(38)15(20)36/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
InChIKeyJMPCSGHAAIDYIN-WASRWFGHSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-D-Glcp (CHEBI:63013) is a amino tetrasaccharide (CHEBI:59412)
β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-D-Glcp (CHEBI:63013) is a galactosamine oligosaccharide (CHEBI:22484)
IUPAC Name 
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→3)-α-D-galactopyranosyl-(1→4)-β-D-galactopyranosyl-(1→4)-D-glucopyranose
Synonyms  Source
GalNAcβ1-3Galα1-4Galβ1-4GlcChEBI
β-D-GalNAc-(1→3)-α-D-Gal-(1→4)-β-D-Gal-(1→4)-D-GlcChEBI
GalNAcβ1-3Galα1-4Galβ1-4Glc~OHChEBI
N-acetyl-β-D-galactosaminyl-(1→3)-α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-D-glucoseChEBI
(Gal)2 (GalNAc)1 (Glc)1KEGG GLYCAN
globotetraoseKEGG GLYCAN
Manual XrefsDatabases
G02369KEGG GLYCAN
G24499XEGlyTouCan
G24499XEGlyGen
Registry NumbersSources
Reaxys:9466242Reaxys
Citations