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CHEBI:146137 - 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:146137
ChEBI Name6-PEA-α-D-Man-(1→2)-α-D-Man-(1→6)-α-D-Man-(1→4)-β-D-GlcN-O[CH2]6SH
Stars
ASCII Name6-PEA-alpha-D-Man-(1->2)-alpha-D-Man-(1->6)-alpha-D-Man-(1->4)-beta-D-GlcN-O[CH2]6SH
DefinitionA linear tetrasaccharide derivative consisting of a 6-O-[(2-aminoethoxy)(hydroxy)phosphoryl-α-D-mannose residue, two α-D-mannose residues and one β-D-glucosamine residue, linked sequentially (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
FormulaC32H61N2O23PS
Net Charge0
Average Mass904.872
Monoisotopic Mass904.31234
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](O)[C@@H]1O
InChIInChI=1S/C32H61N2O23PS/c33-5-7-50-58(46,47)51-12-16-20(39)23(42)26(45)31(55-16)57-28-24(43)18(37)13(9-35)52-32(28)49-11-15-19(38)22(41)25(44)30(54-15)56-27-14(10-36)53-29(17(34)21(27)40)48-6-3-1-2-4-8-59/h13-32,35-45,59H,1-12,33-34H2,(H,46,47)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,27-,28+,29-,30-,31-,32+/m1/s1
InChIKeyBMLDWURCWGNBPO-PHYIEPSRSA-N
ChEBI Ontology
Outgoing Relation(s)
6-PEA-α-D-Man-(1→2)-α-D-Man-(1→6)-α-D-Man-(1→4)-β-D-GlcN-O[CH2]6SH (CHEBI:146137) is a glycoside (CHEBI:24400)
6-PEA-α-D-Man-(1→2)-α-D-Man-(1→6)-α-D-Man-(1→4)-β-D-GlcN-O[CH2]6SH (CHEBI:146137) is a tetrasaccharide derivative (CHEBI:63567)
IUPAC Name 
6-sulfanylhexyl 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
Synonyms  Source
6-PEA-α-D-Manp-(1→2)-α-D-Manp-(1→6)-α-D-Manp-(1→4)-β-D-GlcpN-O[CH2]6SHIUPAC
6-mercaptohexyl 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 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