CHEBI:18115 - 4-hydroxymandelonitrile

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 4-hydroxymandelonitrile ChEBI ID CHEBI:18115 Definition A cyanohydrin that is obtained by the formal addition of hydrogen cyanide to the aldehyde group of 4-hydroxybenzaldehyde. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1870, CHEBI:12009, CHEBI:20411 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 InChIKey HOOOPXDSCKBLFG-UHFFFAOYSA-N SMILES OC(C#N)c1ccc(O)cc1 ChEBI Ontology Outgoing 4-hydroxymandelonitrile (CHEBI:18115) has functional parent mandelonitrile (CHEBI:16910) 4-hydroxymandelonitrile (CHEBI:18115) is a phenols (CHEBI:33853) Incoming (S)-4-hydroxymandelonitrile (CHEBI:16660) is a 4-hydroxymandelonitrile (CHEBI:18115) IUPAC Name hydroxy(4-hydroxyphenyl)acetonitrile Synonyms Sources 2-hydroxy-2-(4-hydroxyphenyl)acetonitrile ChEBI 4-hydroxybenzaldehyde cyanonhydrin ChEBI 4-Hydroxymandelonitrile KEGG COMPOUND 4-hydroxymandelonitrile UniProt α,4-dihydroxybenzeneacetonitrile ChemIDplus p-hydroxymandelonitrile ChEBI para-hydroxymandelonitrile ChemIDplus Manual Xref Database C00650 KEGG COMPOUND View more database links Registry Numbers Types Sources 13093-65-7 CAS Registry Number ChemIDplus 1367224 Reaxys Registry Number Reaxys Last Modified 13 November 2017