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CHEBI:61588 - [α-D-Man-(1→2)-α-D-Man-(1→6)-α-D-Man-(1→4)-α-D-GlcN-(1→6)]-1-O-(6-thiohexylphosphono)-D-myo-inositol

ChEBI IDCHEBI:61588
ChEBI Name[α-D-Man-(1→2)-α-D-Man-(1→6)-α-D-Man-(1→4)-α-D-GlcN-(1→6)]-1-O-(6-thiohexylphosphono)-D-myo-inositol
Stars
ASCII Name[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)-alpha-D-Man-(1->4)-alpha-D-GlcN-(1->6)]-1-O-(6-thiohexylphosphono)-D-myo-inositol
DefinitionA myo-inositol monophosphate derivative consisting of 1-O-(6-thiohexylphosphono)-D-myo-inositol having an α-D-mannosyl-(1→2)-α-D-mannosyl-(1→6)-α-D-mannosyl-(1→4)-α-D-glucosaminyl residue at the 6-position.
Last Modified19 December 2014
SubmitterSteve
DownloadsMolfile
FormulaC36H66NO28PS
Net Charge0
Average Mass1023.944
Monoisotopic Mass1023.32297
SMILESN[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(O)OCCCCCCS)O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C36H66NO28PS/c37-15-19(44)29(13(9-40)60-33(15)63-30-25(50)22(47)23(48)26(51)31(30)65-66(54,55)57-5-3-1-2-4-6-67)62-35-28(53)21(46)18(43)14(61-35)10-56-36-32(24(49)17(42)12(8-39)59-36)64-34-27(52)20(45)16(41)11(7-38)58-34/h11-36,38-53,67H,1-10,37H2,(H,54,55)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20+,21+,22-,23-,24+,25+,26-,27+,28+,29-,30-,31-,32+,33-,34-,35-,36+/m1/s1
InChIKeyUMFDQWBXDZZOKA-RSEXLHEFSA-N
ChEBI Ontology
Outgoing Relation(s)
[α-D-Man-(1→2)-α-D-Man-(1→6)-α-D-Man-(1→4)-α-D-GlcN-(1→6)]-1-O-(6-thiohexylphosphono)-D-myo-inositol (CHEBI:61588) has functional parent myo-inositol (CHEBI:17268)
[α-D-Man-(1→2)-α-D-Man-(1→6)-α-D-Man-(1→4)-α-D-GlcN-(1→6)]-1-O-(6-thiohexylphosphono)-D-myo-inositol (CHEBI:61588) is a myo-inositol monophosphate derivative (CHEBI:84140)
[α-D-Man-(1→2)-α-D-Man-(1→6)-α-D-Man-(1→4)-α-D-GlcN-(1→6)]-1-O-(6-thiohexylphosphono)-D-myo-inositol (CHEBI:61588) is a glycoside (CHEBI:24400)
[α-D-Man-(1→2)-α-D-Man-(1→6)-α-D-Man-(1→4)-α-D-GlcN-(1→6)]-1-O-(6-thiohexylphosphono)-D-myo-inositol (CHEBI:61588) is a tetrasaccharide derivative (CHEBI:63567)
IUPAC Name 
6-sulfanylhexyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-{[α-D-mannopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)-α-D-mannopyranosyl-(1→4)-2-amino-2-deoxy-α-D-glucopyranosyl]oxy}cyclohexyl hydrogen phosphate
Synonyms  Source
[α-D-Manp-(1→2)-α-D-Manp-(1→6)-α-D-Manp-(1→4)-α-D-GlcpN-(1→6)]-1-O-(6-thiohexylphosphono)-D-myo-inositolChEBI
[α-D-mannosyl-(1→2)-α-D-mannosyl-(1→6)-α-D-mannosyl-(1→4)-α-D-glucosaminyl-(1→6)]-1-O-(6-thiohexylphosphono)-D-myo-inositolChEBI
(α-D-mannopyranosyl)-(1→2)-(α-D-mannopyranosyl)-(1→6)-(α-D-mannopyranosyl)-(1→4)-(2-amino-2-deoxyα-D-glucopyranosyl)-(1→6)-1-O-(6-thiohexylphosphono)-D-myo-inositolChEBI
6-sulfanylhexyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-{[α-D-mannosyl-(1→2)-α-D-mannosyl-(1→6)-α-D-mannosyl-(1→4)-α-D-glucosaminyl]oxy}cyclohexyl hydrogen phosphateChEBI
Registry NumbersSources
Reaxys:10236816Reaxys
Citations