CHEBI:17094 - 2-dehydropantoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-dehydropantoic acid
ChEBI ID CHEBI:17094
Definition An oxo monocarboxylic acid that is 2-oxobutanoic acid in which both of the hydrogens at position 3 are substituted by methyl groups and one of the hydrogens at position 4 is substituted by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1071, CHEBI:19545
Supplier Information
Download Molfile XML SDF
Formula C6H10O4
Net Charge 0
Average Mass 146.14120
Monoisotopic Mass 146.058
InChI InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10)
InChIKey PKVVTUWHANFMQC-UHFFFAOYSA-N
SMILES CC(C)(CO)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-dehydropantoic acid (CHEBI:17094) has functional parent pantoic acid (CHEBI:14737)
2-dehydropantoic acid (CHEBI:17094) is a hydroxy monocarboxylic acid (CHEBI:35868)
2-dehydropantoic acid (CHEBI:17094) is a oxo monocarboxylic acid (CHEBI:35871)
2-dehydropantoic acid (CHEBI:17094) is conjugate acid of 2-dehydropantoate (CHEBI:11561)
Incoming 2-dehydropantoate (CHEBI:11561) is conjugate base of 2-dehydropantoic acid (CHEBI:17094)
IUPAC Name
4-hydroxy-3,3-dimethyl-2-oxobutanoic acid
Synonyms Sources
2-Dehydropantoate KEGG COMPOUND
ketopantoic acid ChEBI
Database Links Databases
C00007477 KNApSAcK
C00966 KEGG COMPOUND
KPL PDBeChem
View more database links
Registry Numbers Types Sources
2242422 Reaxys Registry Number Reaxys
2242422 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
234966 PubMed citation Europe PMC
Last Modified
28 July 2014