CHEBI:50868 - penicillamine

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ChEBI Name penicillamine ChEBI ID CHEBI:50868 Definition An α-amino acid having the structure of valine substituted at the β position with a sulfanyl group. Stars This entity has been manually annotated by the ChEBI Team. 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 C5H11NO2S Net Charge 0 Average Mass 149.21238 Monoisotopic Mass 149.05105 InChI InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8) InChIKey VVNCNSJFMMFHPL-UHFFFAOYSA-N SMILES CC(C)(S)C(N)C(O)=O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) 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 penicillamine (CHEBI:50868) is a non-proteinogenic α-amino acid (CHEBI:83925) penicillamine (CHEBI:50868) is a thiol (CHEBI:29256) Incoming D-penicillamine (CHEBI:7959) is a penicillamine (CHEBI:50868) L-penicillamine (CHEBI:50869) is a penicillamine (CHEBI:50868) 3,3-dimethylcystein-S-yl group (CHEBI:139233) is substituent group from penicillamine (CHEBI:50868) IUPAC Names 2-amino-3-methyl-3-sulfanylbutanoic acid 3-sulfanylvaline Synonyms Sources (±)-penicillamine ChemIDplus 2-amino-3-mercapto-3-methylbutyric acid ChemIDplus 3,3-dimethylcysteine ChemIDplus β-mercaptovaline ChemIDplus D,L-penicillamine ChemIDplus DL-3-mercaptovaline ChemIDplus DL-β-mercaptovaline ChemIDplus Manual Xref Database DB00859 DrugBank View more database links Registry Numbers Types Sources 1722376 Beilstein Registry Number Beilstein 52-66-4 CAS Registry Number ChemIDplus Last Modified 06 December 2017