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CHEBI:234325 - 4-(1-methylpyrrolidin-2-yl)-3-oxobutanoate

Default Structure
ChEBI IDCHEBI:234325
ChEBI Name4-(1-methylpyrrolidin-2-yl)-3-oxobutanoate
Stars
DefinitionMajor species at pH 7.3.
Last Modified26 May 2025
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC9H15NO3
Net Charge0
Average Mass185.223
Monoisotopic Mass185.10519
SMILESC[NH+]1CCCC1CC(=O)CC(=O)[O-]
InChIInChI=1S/C9H15NO3/c1-10-4-2-3-7(10)5-8(11)6-9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeyWDFDPXMELFXBFU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(1-methylpyrrolidin-2-yl)-3-oxobutanoate (CHEBI:234325) is a zwitterion (CHEBI:27369)
Incoming Relation(s)
(S)-4-(1-methylpyrrolidin-2-yl)-3-oxobutanoate (CHEBI:234008) is a 4-(1-methylpyrrolidin-2-yl)-3-oxobutanoate (CHEBI:234325)
UniProt Name  Source
4-(1-methylpyrrolidin-2-yl)-3-oxobutanoateUniProt
Manual XrefsDatabases
CPD-9779MetaCyc
Citations