Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:40:43 UTC
Update Date2022-08-31 17:16:48 UTC
Metabolite IDMMDBc0029766
Metabolite Identification
Common Name2-Dehydropantoate
Description2-dehydropantoate belongs to the class of Branched Fatty Acids. These are fatty acids containing a branched chain. (inferred from compound structure)2-dehydropantoate is invovled in Pantothenate and CoA biosynthesis, and Biosynthesis of secondary metabolites. (KEGG)
Structure
Synonyms
ValueSource
2-Dehydropantoic acidGenerator
KetopantoateMetaCyc
2-KetopantoateMetaCyc
Ketopantoic acidGenerator
2-Ketopantoic acidGenerator
Molecular FormulaC6H9O4
Average Mass145.1333
Monoisotopic Mass145.050083776
IUPAC Name4-hydroxy-3,3-dimethyl-2-oxobutanoate
Traditional Name2-dehydropantoate
CAS Registry NumberNot Available
SMILES
CC(C)(CO)C(=O)C([O-])=O
InChI Identifier
InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10)/p-1
InChI KeyPKVVTUWHANFMQC-UHFFFAOYSA-M