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Linamarin

CAT: 0013-GTR19258934-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19258934-01Size:1 ml x 10 mM (in DMSO)
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Description
Linamarin is a glucoside of acetone cyanohydrin found in the leaves and roots of cassava, lima beans, and flax. Upon exposure to enzymes and gut flora in the human intestine, linamarin and its methylated relative lotaustralin can decompose to the toxic chemical hydrogen cyanide.
CAS Number
554-35-8
Smiles
O (C (C#N) (C) C) [C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C10H17NO6
Molecular Weight
247.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Linamarin

Linamarin is a beta-D-glucoside. It is functionally related to a 2-hydroxy-2-methylpropanenitrile.

CAS Number554-35-8
PubChem CID11128
IUPAC Name2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanenitrile
Molecular FormulaC10H17NO6
Molecular Weight247.24
XLogP-1.8
Topological Polar Surface Area123
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity311
SMILES
CC(C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1
InChIKey
QLTCHMYAEJEXBT-ZEBDFXRSSA-N
Chemical Structure
2D Structure
2D structure of Linamarin
CAS: 554-35-8
CID: 11128
Formula: C10H17NO6
MW: 247.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.24
XLogP3-1.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass247.10558726
Monoisotopic Mass247.10558726
Topological Polar Surface Area123 Ų
Heavy Atom Count17
Formal Charge0
Complexity311
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
2749-25Linamarin
TBI2713-25MGLinamarin, Neurotoxic cyanogenic glycoside
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MBS6079504-01Linamarin (2-(b-D-Glucopyranosyloxy)-2-methyl-propanenitrile, Phaseolunatin)
L2288Linamarin (2- (b-D-Glucopyranosyloxy) -2-methyl-propanenitrile, Phaseolunatin)
MBS6046772-012,3,4,6-Tetra-O-acetyl Linamarin (2- (2,3,4,6-Tetra-O-acetyl-b-D-glucopyranosyloxy) isobutyronitrile)

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