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CHEBI:146150 - [α-D-Man-(1→2)-6-PEA-α-D-Man-(1→6)-α-D-Man-(1→4)-α-D-GlcN-(1→6)]-1-O-(6-thiohexylphosphono)-D-myo-inositol

ChEBI IDCHEBI:146150
ChEBI Name[α-D-Man-(1→2)-6-PEA-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)-6-PEA-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)-6-O-(2-aminoethylphosphono)-α-D-mannosyl-(1→6)-α-D-mannosyl-(1→4)-α-D-glucosaminyl residue at the 6-position.
Last Modified12 February 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC38H72N2O31P2S
Net Charge0
Average Mass1146.992
Monoisotopic Mass1146.33150
SMILESNCCOP(=O)(O)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](N)[C@@H](O[C@@H]4[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]4OP(=O)(O)OCCCCCCS)O[C@@H]3CO)[C@@H](O)[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/C38H72N2O31P2S/c39-5-7-62-72(56,57)63-12-16-20(45)26(51)34(70-36-29(54)22(47)18(43)13(9-41)64-36)38(67-16)60-11-15-19(44)23(48)30(55)37(66-15)68-31-14(10-42)65-35(17(40)21(31)46)69-32-27(52)24(49)25(50)28(53)33(32)71-73(58,59)61-6-3-1-2-4-8-74/h13-38,41-55,74H,1-12,39-40H2,(H,56,57)(H,58,59)/t13-,14-,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
InChIKeyJFPWEGIWUZGSQG-SCKWAZNNSA-N
ChEBI Ontology
Outgoing Relation(s)
[α-D-Man-(1→2)-6-PEA-α-D-Man-(1→6)-α-D-Man-(1→4)-α-D-GlcN-(1→6)]-1-O-(6-thiohexylphosphono)-D-myo-inositol (CHEBI:146150) has functional parent myo-inositol (CHEBI:17268)
[α-D-Man-(1→2)-6-PEA-α-D-Man-(1→6)-α-D-Man-(1→4)-α-D-GlcN-(1→6)]-1-O-(6-thiohexylphosphono)-D-myo-inositol (CHEBI:146150) is a myo-inositol monophosphate derivative (CHEBI:84140)
[α-D-Man-(1→2)-6-PEA-α-D-Man-(1→6)-α-D-Man-(1→4)-α-D-GlcN-(1→6)]-1-O-(6-thiohexylphosphono)-D-myo-inositol (CHEBI:146150) is a glycoside (CHEBI:24400)
[α-D-Man-(1→2)-6-PEA-α-D-Man-(1→6)-α-D-Man-(1→4)-α-D-GlcN-(1→6)]-1-O-(6-thiohexylphosphono)-D-myo-inositol (CHEBI:146150) 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)-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-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-mannosyl-(1→2)-6-O-(2-aminoethylphosphono)-α-D-mannosyl-(1→6)-α-D-manoosyl-(1→4)-α-D-glucosaminyl-(1→6)]-1-O-(6-thiohexylphosphono)-D-myo-inositolChEBI
[α-D-Manp-(1→2)-6-O-(2-aminoethylphosphono)-α-D-Manp-(1→6)-α-D-Manp-(1→4)-α-D-GlcpN-(1→6)]-1-O-(6-thiohexylphosphono)-D-myo-inositolChEBI
(α-D-mannopyranosyl)-(1→2)-[6-O-(2-aminoethylphosphono)-(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
[α-D-Manp-(1→2)-6-PEA-α-D-Manp-(1→6)-α-D-Manp-(1→4)-α-D-GlcpN-(1→6)]-1-O-(6-thiohexylphosphono)-D-myo-inositolIUPAC
Citations