CHEBI:197361 - (2S)-2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyacetonitrile

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ChEBI Name (2S)-2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyacetonitrile
ChEBI ID CHEBI:197361
ChEBI ASCII Name (2S)-2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyacetonitrile
Definition Optically active cyanohydrin that can be produced using the (S)-hydroxynitrile lyase from Manihot esculenta (https://doi.org/doi:10.1002/anie.199604371)
Stars This entity has been manually annotated by a third party.
Submitter Elisabeth COUDERT
Supplier Information
Download Molfile XML SDF
Formula C9H7NO3
Net Charge 0
Average Mass 177.159
Monoisotopic Mass 177.04259
InChI InChI=1S/C9H7NO3/c10-4-7(11)6-1-2-8-9(3-6)13-5-12-8/h1-3,7,11H,5H2/t7-/m1/s1
InChIKey JWZKLCWLXKKOLL-SSDOTTSWSA-N
SMILES C1=C2OCOC2=CC(=C1)[C@H](O)C#N
ChEBI Ontology
Outgoing (2S)-2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyacetonitrile (CHEBI:197361) is a cyanohydrin (CHEBI:23437)
Synonym Source
(2S)-2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyacetonitrile UniProt