CHEBI:52960 - 3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate

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ChEBI Name 3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate ChEBI ID CHEBI:52960 Definition The conjugate base of 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. Submitter kieran 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 C8H13O5 Net Charge -1 Average Mass 189.18580 Monoisotopic Mass 189.07685 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)/p-1 InChIKey YFUPBIBIDVFELV-UHFFFAOYSA-M SMILES COC(=O)C(O)C(C(C)C)C([O-])=O Metabolite of Species Details Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed Roles Classification Biological Role(s): Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). View more via ChEBI Ontology ChEBI Ontology Outgoing 3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate (CHEBI:52960) has functional parent succinic acid (CHEBI:15741) 3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate (CHEBI:52960) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) 3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate (CHEBI:52960) is a carboxylic ester (CHEBI:33308) 3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate (CHEBI:52960) is a monocarboxylic acid anion (CHEBI:35757) 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) Incoming 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) IUPAC Name 3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate Last Modified 21 January 2016