CHEBI:60458 - 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid

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ChEBI Name 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid ChEBI ID CHEBI:60458 ChEBI ASCII Name 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid Definition Ethylbenzene in which the pro-R α-hydrogen is substituted by the nitrogen at the 1 position of 1H-imidazole-5-carboxylic acid. Its ethyl ester, etomidate, is used as an intravenous anaesthetic. 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 C12H12N2O2 Net Charge 0 Average Mass 216.23590 Monoisotopic Mass 216.08988 InChI InChI=1S/C12H12N2O2/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16/h2-9H,1H3,(H,15,16)/t9-/m1/s1 InChIKey RGYCCBLTSWHXIS-SECBINFHSA-N SMILES C[C@H](c1ccccc1)n1cncc1C(O)=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 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid (CHEBI:60458) is a imidazolyl carboxylic acid (CHEBI:38307) Incoming etomidate (CHEBI:4910) has functional parent 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid (CHEBI:60458) IUPAC Name 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid Synonyms Sources (R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid ChEBI (R)-1-(α-methylbenzyl)imidazole-5-carboxylic acid ChEBI Last Modified 26 March 2015