CHEBI:52978 - 3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoic acid

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ChEBI Name 3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoic acid ChEBI ID CHEBI:52978 Definition A succinic acid monoester having an isopropyl substituent at the 2-position and a hydroxy substituent at the 3-position. 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 C8H14O5 Net Charge 0 Average Mass 190.19380 Monoisotopic Mass 190.08412 InChI InChI=1S/C8H14O5/c1-4(2)5(7(10)11)6(9)8(12)13-3/h4-6,9H,1-3H3,(H,10,11) InChIKey YFUPBIBIDVFELV-UHFFFAOYSA-N SMILES COC(=O)C(O)C(C(C)C)C(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 3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoic acid (CHEBI:52978) has functional parent succinic acid (CHEBI:15741) 3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoic acid (CHEBI:52978) is a dicarboxylic acid monoester (CHEBI:36244) 3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoic acid (CHEBI:52978) is a methyl ester (CHEBI:25248) 3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoic acid (CHEBI:52978) is conjugate acid of 3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate (CHEBI:52960) Incoming 3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate (CHEBI:52960) is conjugate base of 3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoic acid (CHEBI:52978) IUPAC Name 3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoic acid Last Modified 03 March 2015