EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:61187 - β-D-GalpNAc-(1→4)-β-D-GlcpNAc-(1→3)-α-D-Galp

ChEBI IDCHEBI:61187
ChEBI Nameβ-D-GalpNAc-(1→4)-β-D-GlcpNAc-(1→3)-α-D-Galp
Stars
ASCII Namebeta-D-GalpNAc-(1->4)-beta-D-GlcpNAc-(1->3)-alpha-D-Galp
DefinitionA linear amino trisaccharide comprising α-D-galactose at the reducing end having a N-acetyl-β-D-galactosaminyl-(1→4)-N-acetyl-β-D-glucosaminyl moiety attached at the 3-position.
Last Modified3 February 2011
SubmitterSteve
DownloadsMolfile
FormulaC22H38N2O16
Net Charge0
Average Mass586.544
Monoisotopic Mass586.22213
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
InChIInChI=1S/C22H38N2O16/c1-6(28)23-11-15(32)13(30)8(3-25)37-21(11)39-18-10(5-27)38-22(12(16(18)33)24-7(2)29)40-19-14(31)9(4-26)36-20(35)17(19)34/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19+,20+,21+,22+/m1/s1
InChIKeyKOYFXYSQFXWFEU-AKLOTRNASA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
β-D-GalpNAc-(1→4)-β-D-GlcpNAc-(1→3)-α-D-Galp (CHEBI:61187) has role epitope (CHEBI:53000)
β-D-GalpNAc-(1→4)-β-D-GlcpNAc-(1→3)-α-D-Galp (CHEBI:61187) is a amino trisaccharide (CHEBI:59266)
IUPAC Name 
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-α-D-galactopyranose
Synonyms  Source
2-acetamido-2-deoxy-β-D-galactosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucosyl-(1→3)-α-D-galactoseChEBI
N-acetyl-β-D-galactosaminyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-α-D-galactoseChEBI
β-D-GalNAc-(1→4)-β-D-GlcNAc-(1→3)-α-D-GalChEBI
GalNAcβ1-4GlcNAcβ1-3Galα1ChEBI
Citations