CHEBI:17094 - 2-dehydropantoic acid

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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 ZINC000001532800 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H10O4 Net Charge 0 Average Mass 146.14120 Monoisotopic Mass 146.05791 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 Manual Xrefs Databases C00007477 KNApSAcK C00966 KEGG COMPOUND KPL PDBeChem View more database links Registry Number Type Source 2242422 Reaxys Registry Number Reaxys Citation Last Modified 28 July 2014