CHEBI:16441 - linamarin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name linamarin
ChEBI ID CHEBI:16441
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:6470, CHEBI:25043, CHEBI:14512
Supplier Information
Download Molfile XML SDF
Formula C10H17NO6
Net Charge 0
Average Mass 247.24512
Monoisotopic Mass 247.106
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
SMILES CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N
ChEBI Ontology
Outgoing 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 Sources
1-cyano-1-methylethyl beta-D-glucoside ChEBI
Linamarin KEGG COMPOUND
linamarin UniProt
Phaseolunatin KEGG COMPOUND
Database Links Databases
C00001446 KNApSAcK
C01594 KEGG COMPOUND
View more database links
Registry Number Type Source
554-35-8 CAS Registry Number KEGG COMPOUND
Last Modified
26 August 2016