CHEBI:47870 - (methylthio)acetic acid

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ChEBI Name (methylthio)acetic acid ChEBI ID CHEBI:47870 Definition A sulfur-containing carboxylic consisting of thioglycolic acid carrying an S-methyl substituent. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:18836, CHEBI:8966 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 C3H6O2S Net Charge 0 Average Mass 106.14454 Monoisotopic Mass 106.00885 InChI InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5) InChIKey HGTBAIVLETUVCG-UHFFFAOYSA-N SMILES CSCC(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. View more via ChEBI Ontology ChEBI Ontology Outgoing (methylthio)acetic acid (CHEBI:47870) has functional parent thioglycolic acid (CHEBI:30065) (methylthio)acetic acid (CHEBI:47870) has role xenobiotic metabolite (CHEBI:76206) (methylthio)acetic acid (CHEBI:47870) is a methyl sulfide (CHEBI:86315) (methylthio)acetic acid (CHEBI:47870) is a monocarboxylic acid (CHEBI:25384) (methylthio)acetic acid (CHEBI:47870) is a sulfur-containing carboxylic acid (CHEBI:33576) (methylthio)acetic acid (CHEBI:47870) is conjugate acid of (methylthio)acetate (CHEBI:18071) Incoming butyl 2-(methylsulfanyl)acetate (CHEBI:156077) has functional parent (methylthio)acetic acid (CHEBI:47870) (methylthio)acetate (CHEBI:18071) is conjugate base of (methylthio)acetic acid (CHEBI:47870) IUPAC Name (methylsulfanyl)acetic acid Synonyms Sources (Methylthio)acetic acid KEGG COMPOUND 2-methylthioacetic acid NIST Chemistry WebBook methylmercaptoacetic acid ChEBI methylsulfenylacetic acid ChEBI S-Methylthioglycolate KEGG COMPOUND Manual Xrefs Databases C03173 KEGG COMPOUND MTG PDBeChem View more database links Registry Numbers Types Sources 1740201 Reaxys Registry Number Reaxys 1740201 Beilstein Registry Number Beilstein 2444-37-3 CAS Registry Number KEGG COMPOUND 2444-37-3 CAS Registry Number ChemIDplus 2444-37-3 CAS Registry Number NIST Chemistry WebBook 260045 Gmelin Registry Number Gmelin Citation Type Source 14333570 PubMed citation Europe PMC Last Modified 13 July 2020