**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

linamarin

Properties Image MNX_ID MNXM1103402 reference chebi:16441 formula C10H17NO6 global charge 0 mol weight 247.247 InChIKey QLTCHMYAEJEXBT-ZEBDFXRSSA-N 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 SMILES CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [CH2:1]1[C@H:2]([O:12][O:14]([OH:13])([OH:15])[O:16]#[O:17])[C@H:8]([CH3:10])[C@@H:3]([CH3:4])[C@H:9]([NH2:11])[C@H:5]1[CH2:6][CH3:7]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:16441 chebi:16441 QLTCHMYAEJEXBT-ZEBDFXRSSA-N	linamarin 1-cyano-1-methylethyl beta-D-glucoside 2-(beta-D-glucopyranosyloxy)-2-methylpropanenitrile Linamarin Phaseolunatin
hmdb:HMDB0033699 QLTCHMYAEJEXBT-ZEBDFXRSSA-N	Linamarin 1-Cyano-1-methylethyl b-D-glucoside 1-Cyano-1-methylethyl beta-D-glucoside 2-(b-D-Glucopyranosyloxy)-2-methylpropanenitrile, 9ci 2-(beta-D-Glucopyranosyloxy)-2-methyl-propanenitrile 2-(beta-D-Glucopyranosyloxy)-2-methylpropanenitrile 2-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanenitrile Manihotoxin Phaseolunatin alpha-Hydroxyisobutyronitrile-beta-D-glucose linamarin
seed.compound:cpd01121 seedM:cpd01121 QLTCHMYAEJEXBT-ZEBDFXRSSA-N	Linamarin 1-cyano-1-methylethyl beta-D-glucoside 2-(beta-D-glucopyranosyloxy)-2-methylpropanenitrile Phaseolunatin linamarin
kegg.compound:C01594 keggC:C01594 QLTCHMYAEJEXBT-ZEBDFXRSSA-N	Linamarin Phaseolunatin
metacyc.compound:LINAMARIN metacycM:LINAMARIN QLTCHMYAEJEXBT-ZEBDFXRSSA-N	linamarin 1-cyano-1-methylethyl beta-D-glucoside 2-(beta-D-glucopyranosyloxy)-2-methylpropanenitrile
hmdb:HMDB33699 chebi:14512 chebi:25043 chebi:6470 keggC:M_C01594 seedM:M_cpd01121	secondary/obsolete/fantasy identifier