DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:56 UTC
Update Date	2025-03-21 18:05:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00057249
Frequency	55.5
Structure
Chemical Formula	C₈H₁₃NO₅
Molecular Mass	203.0794
SMILES	CCC(=O)C(NC(C)C(=O)O)C(=O)O
InChI Key	QJHWVMRLNTYEEZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	alanine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	1,3-dicarbonyl compounds alpha amino acids amino acids beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty acyls hydrocarbon derivatives methyl-branched fatty acids organic oxides organopnictogen compounds short-chain keto acids and derivatives
Substituents	fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid amino acid short-chain keto acid beta-keto acid ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine methyl-branched fatty acid secondary amine branched fatty acid organic oxygen compound keto acid dicarboxylic acid or derivatives alanine or derivatives hydrocarbon derivative organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound amine

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