CHEBI:61591 - [α-D-Man-(1→2)-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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name [α-D-Man-(1→2)-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 ID CHEBI:61591
ChEBI ASCII Name [alpha-D-Man-(1->2)-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
Definition A myo-inositol monophosphate derivative consisting of 1-O-(6-thiohexylphosphono)-D-myo-inositol having an α-D-mannosyl-(1→2)-α-D-mannosyl-(1→2)-α-D-mannosyl-(1→6)-α-D-mannosyl-(1→4)-α-D-glucosaminyl residue at the 6-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C42H76NO33PS
Net Charge 0
Average Mass 1186.07900
Monoisotopic Mass 1185.37579
InChI InChI=1S/C42H76NO33PS/c43-17-22(52)33(15(10-47)70-38(17)73-34-29(59)25(55)26(56)30(60)35(34)76-77(63,64)66-5-3-1-2-4-6-78)72-40-32(62)24(54)21(51)16(71-40)11-65-41-36(27(57)19(49)13(8-45)68-41)75-42-37(28(58)20(50)14(9-46)69-42)74-39-31(61)23(53)18(48)12(7-44)67-39/h12-42,44-62,78H,1-11,43H2,(H,63,64)/t12-,13-,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-,39-,40-,41+,42-/m1/s1
InChIKey JZSBCBXGQNBGCY-HOSUYHKVSA-N
SMILES N[C@@H]1[C@@H](O)[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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1OP(O)(=O)OCCCCCCS
ChEBI Ontology
Outgoing [α-D-Man-(1→2)-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:61591) has functional parent myo-inositol (CHEBI:17268)
[α-D-Man-(1→2)-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:61591) is a myo-inositol monophosphate derivative (CHEBI:84140)
[α-D-Man-(1→2)-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:61591) is a glycoside (CHEBI:24400)
[α-D-Man-(1→2)-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:61591) is a pentasaccharide derivative (CHEBI:63566)
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→2)-α-D-mannopyranosyl-(1→6)-α-D-mannopyranosyl-(1→4)-2-amino-2-deoxy-α-D-glucopyranosyl]oxy}cyclohexyl hydrogen phosphate
Synonyms Sources
(α-D-mannopyranosyl)-(1→2)-(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-inositol ChEBI
[α-D-mannosyl-(1→2)-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-inositol ChEBI
[α-D-Manp-(1→2)-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-inositol ChEBI
Registry Number Type Source
10237648 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15729674 PubMed citation Europe PMC
20471845 PubMed citation Europe PMC
Last Modified
19 December 2014