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

ChEBI IDCHEBI:52960
ChEBI Name3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate
Stars
DefinitionThe conjugate base of a succinic acid monoester having an isopropyl substituent at the 2-position and a hydroxy substituent at the 3-position.
Last Modified21 January 2016
Submitterkieran
DownloadsMolfile
FormulaC8H13O5
Net Charge-1
Average Mass189.187
Monoisotopic Mass189.07685
SMILESCOC(=O)C(O)C(C(=O)[O-])C(C)C
InChIInChI=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
InChIKeyYFUPBIBIDVFELV-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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