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

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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 ChEBI ID CHEBI:146150 ChEBI 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 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C38H72N2O31P2S Net Charge 0 Average Mass 1146.980 Monoisotopic Mass 1146.33150 InChI InChI=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 InChIKey JFPWEGIWUZGSQG-SCKWAZNNSA-N SMILES [C@@H]1([C@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)COP(OCCN)(=O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)N)OP(OCCCCCCS)(=O)O)O)O ChEBI Ontology Outgoing [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 Sources (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-inositol ChEBI [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-inositol ChEBI [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-inositol ChEBI [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-inositol IUPAC Citation Type Source 31573796 PubMed citation Europe PMC Last Modified 12 February 2020