CHEBI:16660 - (S)-4-hydroxymandelonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-4-hydroxymandelonitrile
ChEBI ID CHEBI:16660
ChEBI ASCII Name (S)-4-hydroxymandelonitrile
Definition A 4-hydroxymandelonitrile that has (S)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41985, CHEBI:406, CHEBI:11053, CHEBI:18759
Supplier Information
Download Molfile XML SDF
Formula C8H7NO2
Net Charge 0
Average Mass 149.14672
Monoisotopic Mass 149.04768
InChI InChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H/t8-/m1/s1
InChIKey HOOOPXDSCKBLFG-MRVPVSSYSA-N
SMILES O[C@H](C#N)c1ccc(O)cc1
ChEBI Ontology
Outgoing (S)-4-hydroxymandelonitrile (CHEBI:16660) is a 4-hydroxymandelonitrile (CHEBI:18115)
IUPAC Name
(2S)-hydroxy(4-hydroxyphenyl)acetonitrile
Synonyms Sources
(S)-4-Hydroxymandelonitrile KEGG COMPOUND
(S)-4-hydroxymandelonitrile UniProt
Manual Xrefs Databases
C03742 KEGG COMPOUND
DB03430 DrugBank
DHR PDBeChem
View more database links
Registry Numbers Types Sources
13093-65-7 CAS Registry Number ChemIDplus
3589471 Reaxys Registry Number Reaxys
Last Modified
08 April 2015