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

ChEBI IDCHEBI:52978
ChEBI Name3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoic acid
Stars
DefinitionA succinic acid monoester having an isopropyl substituent at the 2-position and a hydroxy substituent at the 3-position.
Last Modified3 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC8H14O5
Net Charge0
Average Mass190.195
Monoisotopic Mass190.08412
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)
InChIKeyYFUPBIBIDVFELV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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