CHEBI:197345 - (2S)-2-hydroxy-2-methylhexanenitrile

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (2S)-2-hydroxy-2-methylhexanenitrile
ChEBI ID CHEBI:197345
ChEBI ASCII Name (2S)-2-hydroxy-2-methylhexanenitrile
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 C7H13NO
Net Charge 0
Average Mass 127.187
Monoisotopic Mass 127.09971
InChI InChI=1S/C7H13NO/c1-3-4-5-7(2,9)6-8/h9H,3-5H2,1-2H3/t7-/m0/s1
InChIKey CTRMPDFUGMJXKE-ZETCQYMHSA-N
SMILES C([C@@](O)(C)C#N)CCC
ChEBI Ontology
Outgoing (2S)-2-hydroxy-2-methylhexanenitrile (CHEBI:197345) is a cyanohydrin (CHEBI:23437)
Synonym Source
(2S)-2-hydroxy-2-methylhexanenitrile UniProt