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CHEBI:146149 - α-D-Man-(1→2)-6-PEA-α-D-Man-(1→2)-α-D-Man-(1→6)-α-D-Man-(1→4)-β-D-GlcN-O[CH2]6SH

ChEBI IDCHEBI:146149
ChEBI Nameα-D-Man-(1→2)-6-PEA-α-D-Man-(1→2)-α-D-Man-(1→6)-α-D-Man-(1→4)-β-D-GlcN-O[CH2]6SH
Stars
ASCII Namealpha-D-Man-(1->2)-6-PEA-alpha-D-Man-(1->2)-alpha-D-Man-(1->6)-alpha-D-Man-(1->4)-beta-D-GlcN-O[CH2]6SH
DefinitionA linear pentasaccharide derivative consisting of an α-D-mannose residue, a 6-O-[(2-aminoethoxy)(hydroxy)phosphoryl-α-D-mannose residue, two further α-D-mannose residues and one β-D-glucosamine residue, linked sequentially (1→2), (1→2), (1→6) and (1→4), with the glucosamine residue linked glycosidically to a 6-sulfanylhexyl group.
Last Modified12 February 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC38H71N2O28PS
Net Charge0
Average Mass1067.013
Monoisotopic Mass1066.36517
SMILESNCCOP(=O)(O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](OC[C@H]3O[C@H](O[C@H]4[C@H](O)[C@@H](N)[C@H](OCCCCCCS)O[C@@H]4CO)[C@@H](O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C38H71N2O28PS/c39-5-7-59-69(55,56)60-13-18-23(47)28(52)33(67-35-29(53)25(49)20(44)14(9-41)61-35)38(65-18)68-32-27(51)21(45)15(10-42)62-37(32)58-12-17-22(46)26(50)30(54)36(64-17)66-31-16(11-43)63-34(19(40)24(31)48)57-6-3-1-2-4-8-70/h14-38,41-54,70H,1-13,39-40H2,(H,55,56)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31-,32+,33+,34-,35-,36-,37+,38-/m1/s1
InChIKeyANWDJXLBHJBVLO-QRQLJTBASA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-Man-(1→2)-6-PEA-α-D-Man-(1→2)-α-D-Man-(1→6)-α-D-Man-(1→4)-β-D-GlcN-O[CH2]6SH (CHEBI:146149) is a glycoside (CHEBI:24400)
α-D-Man-(1→2)-6-PEA-α-D-Man-(1→2)-α-D-Man-(1→6)-α-D-Man-(1→4)-β-D-GlcN-O[CH2]6SH (CHEBI:146149) is a pentasaccharide derivative (CHEBI:63566)
IUPAC Name 
6-sulfanylhexyl α-D-mannopyranosyl-(1→2)-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-α-D-mannopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)-α-D-mannopyranosyl-(1→4)-2-amino-2-deoxy-β-D-glucopyranoside
INN  Source
α-D-Manp-(1→2)-6-PEA-α-D-Manp-(1→2)-α-D-Manp-(1→6)-α-D-Manp-(1→4)-β-D-GlcpN-O[CH2]6SHIUPAC
Synonyms  Source
6-mercaptohexyl α-D-mannosyl-(1→2)-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-α-D-mannosyl-(1→2)-α-D-mannosyl-(1→6)-α-D-mannosyl-(1→4)-β-D-glucosaminideChEBI
1-O-(6-thio)hexyl α-D-mannopyranosyl-(1→2)-6-O-aminoethylphosphono-α-D-mannopyranosyl-(1→2)-α-D mannopyranosyl-( 1→6)-α-D-mannopyranosyl-(1→4)-2-deoxy-2-amino-β-D-glucopyranosideChEBI
Citations