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CHEBI:16441 - linamarin

ChEBI IDCHEBI:16441
ChEBI Namelinamarin
Stars
Secondary ChEBI IDsCHEBI:6470, CHEBI:14512, CHEBI:25043
Last Modified26 August 2016
DownloadsMolfile
FormulaC10H17NO6
Net Charge0
Average Mass247.247
Monoisotopic Mass247.10559
SMILESCC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=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
InChIKeyQLTCHMYAEJEXBT-ZEBDFXRSSA-N
ChEBI Ontology
Outgoing Relation(s)
linamarin (CHEBI:16441) has functional parent 2-hydroxy-2-methylpropanenitrile (CHEBI:15348)
linamarin (CHEBI:16441) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
2-(β-D-glucopyranosyloxy)-2-methylpropanenitrile
Synonyms  Source
LinamarinKEGG COMPOUND
1-cyano-1-methylethyl beta-D-glucosideChEBI
PhaseolunatinKEGG COMPOUND
UniProt Name  Source
linamarinUniProt
Manual XrefsDatabases
C01594KEGG COMPOUND
C01594KEGG COMPOUND
C00001446KNApSAcK
Registry NumbersSources
CAS:554-35-8KEGG COMPOUND