EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:59395 - β-D-Glcp(1→6)-α-D-GlcpNAc-(1→3)-α-L-QuipNAc-(1→3)-β-D-GlcpNAc

ChEBI IDCHEBI:59395
ChEBI Nameβ-D-Glcp(1→6)-α-D-GlcpNAc-(1→3)-α-L-QuipNAc-(1→3)-β-D-GlcpNAc
Stars
ASCII Namebeta-D-Glcp(1->6)-alpha-D-GlcpNAc-(1->3)-alpha-L-QuipNAc-(1->3)-beta-D-GlcpNAc
DefinitionA linear tetrasaccharide derivative consisting of β-D-glucose, N-acetyl-α-D-fucosamine, N-acetyl-α-L-quinovosamine and N-acetyl-β-D-glucosamine residues linked sequentially (1→6), (1→3) and (1→3). It forms an important epitope of the Proteus vulgaris O-specific polysaccharide.
Last Modified28 September 2016
Submitterzjosephs
DownloadsMolfile
FormulaC30H51N3O20
Net Charge0
Average Mass773.739
Monoisotopic Mass773.30659
SMILESCC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O)O[C@@H](C)[C@H](O)[C@H]1O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C30H51N3O20/c1-8-18(39)26(17(33-11(4)38)29(48-8)52-25-16(32-10(3)37)27(46)49-13(6-35)21(25)42)53-28-15(31-9(2)36)22(43)20(41)14(51-28)7-47-30-24(45)23(44)19(40)12(5-34)50-30/h8,12-30,34-35,39-46H,5-7H2,1-4H3,(H,31,36)(H,32,37)(H,33,38)/t8-,12+,13+,14+,15+,16+,17-,18-,19+,20+,21+,22+,23-,24+,25+,26-,27+,28+,29-,30+/m0/s1
InChIKeyRYMCGYAKPWLKRR-USPMIDQISA-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-Glcp(1→6)-α-D-GlcpNAc-(1→3)-α-L-QuipNAc-(1→3)-β-D-GlcpNAc (CHEBI:59395) has role epitope (CHEBI:53000)
β-D-Glcp(1→6)-α-D-GlcpNAc-(1→3)-α-L-QuipNAc-(1→3)-β-D-GlcpNAc (CHEBI:59395) is a tetrasaccharide derivative (CHEBI:63567)
IUPAC Name 
β-D-glucopyranosyl-(1→6)-2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→3)-2-acetamido-2,6-dideoxy-α-L-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
β-D-glucopyranosyl-(1→6)-2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-α-L-quinovopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranoseChEBI
β-D-Glc(1→6)-α-D-GlcNAc-(1→3)-α-L-QuiNAc-(1→3)-β-D-GlcNAcChEBI
β-D-glucosyl-(1→6)-N-acetyl-α-D-glucosaminyl-(1→3)-N-acetyl-α-L-quinovosaminyl-(1→3)-N-acetyl-β-D-glucosamineChEBI
Glcβ1-6GlcNAcα1-3QuiNAcα1-3GlcNAcβChEBI
Citations