| 2D Structure | |
| CID | 11128 |
| IUPAC Name | 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanenitrile |
| 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 |
| InChI Key | QLTCHMYAEJEXBT-ZEBDFXRSSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C10H17NO6 |
| Molecular Weight | 247.24 |
| synonyms | ['LINAMARIN', '554-35-8', 'Phaseolunatin', '2-(beta-D-Glucopyranosyloxy)-2-methylpropanenitrile', 'H3V9RP3WLO', 'alpha-Hydroxyisobutyronitrile-beta-D-glucose', '1-cyano-1-methylethyl beta-D-glucoside', 'CHEBI:16441', '2-(beta-D-Glucopyranosyloxy)isobutyronitrile', 'Propanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl-', 'DTXSID8052857', '2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanenitrile', '2-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)propanenitrile', '2-methyl-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxypropanenitrile', '2-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanenitrile', 'DTXCID5031268', 'MFCD00036209', 'alpha-Hydroxyisobutyronitrile beta-D-glucopyranoside', 'HSDB 3507', 'UNII-H3V9RP3WLO', 'BRN 0019237', 'Manihotoxin', 'Linamarin min. 99%', 'Spectrum_001946', 'SpecPlus_000936', 'LINAMARIN [MI]', 'LINAMARIN [HSDB]', 'Spectrum2_001972', 'Spectrum3_001622', 'Spectrum4_001668', 'Spectrum5_000575', 'SCHEMBL42021', 'BSPBio_003283', 'KBioGR_002195', 'KBioSS_002500', '5-17-07-00397 (Beilstein Handbook Reference)', 'DivK1c_007032', 'SPECTRUM1504124', 'SPBio_002123', 'CHEMBL3039425', 'KBio1_001976', 'KBio2_002492', 'KBio2_005060', 'KBio2_007628', 'KBio3_002503', 'QLTCHMYAEJEXBT-ZEBDFXRSSA-N', 'CCG-39428', 'MSK005033', 'AKOS030242445', 'ML04551', 'SDCCGMLS-0066829.P001', 'NCGC00178164-01', '1ST005033', 'alpha-Hydroxyisobutyronitrile beta-D-glucose', 'HY-123114', 'CS-0081441', 'NS00094824', 'C01594', 'G79760', '2-beta-d-glucopyranosyloxy-2-methylpropanenitrile', 'Q425157', 'SR-05000002494', '2-(beta-D-Glucopyranosyloxy)-2-methylpropionitrile', 'SR-05000002494-1', '2-(beta-D-Glucopyranosyloxy)-2-methyl-Propanenitrile', '2-(b-D-Glucopyranosyloxy)-2-methylpropanenitrile, 9CI', '2-(.BETA.-D-GLUCOPYRANOSYLOXY)-2-METHYLPROPANENITRILE', 'alpha-Hydroxyisobutyronitrile beta-D-glucopyranoside, >=98.0% (HPLC)', '2-(?-D-Glucopyranosyloxy)-2-methyl-propanenitrile;Phaseolunatin;a-Hydroxyisobutyronitrile ?-D-glucose', '2-Methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propanenitrile', '2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propanenitrile'] |
From Pubchem