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CHEBI:17094 - 2-dehydropantoic acid

ChEBI IDCHEBI:17094
ChEBI Name2-dehydropantoic acid
Stars
DefinitionAn 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.
Secondary ChEBI IDsCHEBI:1071, CHEBI:19545
Last Modified28 July 2014
DownloadsMolfile
FormulaC6H10O4
Net Charge0
Average Mass146.142
Monoisotopic Mass146.05791
SMILESCC(C)(CO)C(=O)C(=O)O
InChIInChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10)
InChIKeyPKVVTUWHANFMQC-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)
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 Relation(s)
2-dehydropantoate (CHEBI:11561) is conjugate base of 2-dehydropantoic acid (CHEBI:17094)
IUPAC Name 
4-hydroxy-3,3-dimethyl-2-oxobutanoic acid
Synonyms  Source
2-DehydropantoateKEGG COMPOUND
ketopantoic acidChEBI
Manual XrefsDatabases
C00966KEGG COMPOUND
C00007477KNApSAcK
KPLPDBeChem
Registry NumbersSources
Reaxys:2242422Reaxys
Citations