CHEBI:137433 - (R)-3-(acetylthio)isobutyric acid

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ChEBI Name (R)-3-(acetylthio)isobutyric acid ChEBI ID CHEBI:137433 ChEBI ASCII Name (R)-3-(acetylthio)isobutyric acid Definition A monocarboxylic acid that is isobutyric acid in which a hydrogen of one of the methyl groups has been replaced by an acetylthio group (the R enantiomer). It is an important intermediate for the preparation of various angiotensin-converting enzyme inhibitors such as captopril and alacepril. Stars This entity has been manually annotated by the ChEBI Team. Submitter Gemma Holliday Supplier Information eMolecules:37036685, ZINC000000135386 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H10O3S Net Charge 0 Average Mass 162.208 Monoisotopic Mass 162.03507 InChI InChI=1S/C6H10O3S/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1 InChIKey VFVHNRJEYQGRGE-BYPYZUCNSA-N SMILES CC(SC[C@@H](C(O)=O)C)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing (R)-3-(acetylthio)isobutyric acid (CHEBI:137433) is a monocarboxylic acid (CHEBI:25384) (R)-3-(acetylthio)isobutyric acid (CHEBI:137433) is a thioacetate ester (CHEBI:52477) IUPAC Name (2R)-3-(acetylthio)-2-methylpropanoic acid Synonyms Sources (2R)-3-(acetylthio)-2-methylpropionic acid ChEBI (2R)-3-(acetylthio)isobutyric acid ChEBI (2R)-3-acetylthioisobutyric acid ChEBI (R)-3-(acetylthio)-2-methylpropanoic acid ChEBI (R)-3-(acetylthio)-2-methylpropionic acid ChemIDplus (R)-3-acetylthioisobutyric acid ChEBI D-(−)-S-acetyl-β-mercaptoisobutyric acid ChEBI D-β-acetylthioisobutyric acid ChEBI DAT SUBMITTER Registry Numbers Types Sources 5729494 Reaxys Registry Number Reaxys 74431-52-0 CAS Registry Number ChemIDplus Citations Last Modified 15 June 2017