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CHEBI:63028 - α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc-O(CH2)2S(CH2)2CONH2

ChEBI IDCHEBI:63028
ChEBI Nameα-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc-O(CH2)2S(CH2)2CONH2
Stars
ASCII Namealpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-O(CH2)2S(CH2)2CONH2
DefinitionA glycoside that consists of α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine having a 2-(2-aminocarbonylethylthio)ethyl moiety attached to the reducing end anomeric centre.
Last Modified5 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC25H44N2O17S
Net Charge0
Average Mass676.691
Monoisotopic Mass676.23607
SMILESCC(=O)N[C@H]1[C@H](OCCSCCC(N)=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C25H44N2O17S/c1-9(31)27-14-16(34)21(11(7-29)41-23(14)39-3-5-45-4-2-13(26)32)43-25-20(38)18(36)22(12(8-30)42-25)44-24-19(37)17(35)15(33)10(6-28)40-24/h10-12,14-25,28-30,33-38H,2-8H2,1H3,(H2,26,32)(H,27,31)/t10-,11-,12-,14-,15+,16-,17+,18-,19-,20-,21-,22+,23-,24-,25+/m1/s1
InChIKeyUSHBNJSLANNOBK-CKVXODSBSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc-O(CH2)2S(CH2)2CONH2 (CHEBI:63028) is a acetamides (CHEBI:22160)
α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc-O(CH2)2S(CH2)2CONH2 (CHEBI:63028) is a aliphatic sulfide (CHEBI:22327)
α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc-O(CH2)2S(CH2)2CONH2 (CHEBI:63028) is a glycoside (CHEBI:24400)
α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc-O(CH2)2S(CH2)2CONH2 (CHEBI:63028) is a trisaccharide derivative (CHEBI:63571)
IUPAC Name 
3-[(2-{[α-D-galactopyranosyl-(1→4)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl]oxy}ethyl)sulfanyl]propanamide
Synonym  Source
α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-GlcNAc-O(CH2)2S(CH2)2CONH2ChEBI
Citations