CHEBI:61224 - benzylpenillamine

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ChEBI Name benzylpenillamine ChEBI ID CHEBI:61224 Definition A monocarboxylic acid that is D-penicillamine in which the amino group has been replaced by a consisting 2-benzyl-1H-imidazol-1-yl moiety. 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 C15H18N2O2S Net Charge 0 Average Mass 290.38100 Monoisotopic Mass 290.10890 InChI InChI=1S/C15H18N2O2S/c1-15(2,20)13(14(18)19)17-9-8-16-12(17)10-11-6-4-3-5-7-11/h3-9,13,20H,10H2,1-2H3,(H,18,19)/t13-/m0/s1 InChIKey GKKMZZILRVHLJN-ZDUSSCGKSA-N SMILES CC(C)(S)[C@H](C(O)=O)n1ccnc1Cc1ccccc1 Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing benzylpenillamine (CHEBI:61224) has functional parent D-penicillamine (CHEBI:7959) benzylpenillamine (CHEBI:61224) is a imidazoles (CHEBI:24780) benzylpenillamine (CHEBI:61224) is a monocarboxylic acid (CHEBI:25384) benzylpenillamine (CHEBI:61224) is a non-proteinogenic α-amino acid (CHEBI:83925) benzylpenillamine (CHEBI:61224) is a thiol (CHEBI:29256) IUPAC Name (2S)-2-(2-benzyl-1H-imidazol-1-yl)-3-methyl-3-sulfanylbutanoic acid Synonym Source D-benzylpenillamine ChEBI Registry Number Type Source 87115 Reaxys Registry Number Reaxys Citation Type Source 13761469 PubMed citation Europe PMC Last Modified 09 February 2017