CHEBI:28710 - 3-hydroxy-3-methyl-2-oxopentanoic acid

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ChEBI Name 3-hydroxy-3-methyl-2-oxopentanoic acid
ChEBI ID CHEBI:28710
Definition A 3-hydroxylated derivative of 3-methyl-2-oxovaleric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1523, CHEBI:20041
Supplier Information
Download Molfile XML SDF
Formula C6H10O4
Net Charge 0
Average Mass 146.14120
Monoisotopic Mass 146.05791
InChI InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)
InChIKey YJVOWRAWFXRESP-UHFFFAOYSA-N
SMILES CCC(C)(O)C(=O)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 )
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ChEBI Ontology
Outgoing 3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) has functional parent valeric acid (CHEBI:17418)
3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is a 2-oxo monocarboxylic acid (CHEBI:35910)
3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is a 3-hydroxy monocarboxylic acid (CHEBI:35969)
3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is a hydroxy fatty acid (CHEBI:24654)
3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is a oxo fatty acid (CHEBI:59644)
3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is a tertiary α-hydroxy ketone (CHEBI:139592)
3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is conjugate acid of 3-hydroxy-3-methyl-2-oxopentanoate (CHEBI:53338)
Incoming (R)-3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:34008) is a 3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710)
(S)-3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:53335) is a 3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710)
3-hydroxy-3-methyl-2-oxopentanoate (CHEBI:53338) is conjugate base of 3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710)
IUPAC Name
3-hydroxy-3-methyl-2-oxopentanoic acid
Synonyms Sources
3-Hydroxy-3-methyl-2-oxopentanoate KEGG COMPOUND
3-Hydroxy-3-methyl-2-oxopentanoic acid KEGG COMPOUND
Manual Xrefs Databases
C04237 KEGG COMPOUND
LMFA01020278 LIPID MAPS
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Last Modified
06 February 2018