[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 (CHEBI:61591)

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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

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ChEBI ID	CHEBI:61591
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
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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.
Last Modified	19 December 2014
Submitter	Steve
Downloads	Molfile

Formula	C42H76NO33PS
Net Charge	0
Average Mass	1186.085
Monoisotopic Mass	1185.37579
SMILES	N[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]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
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

ChEBI Ontology

Outgoing Relation(s)
	[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	Source
[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
(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

Registry Numbers	Sources
Reaxys:10237648	Reaxys

Citations