DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:14 UTC
Update Date	2025-03-25 00:52:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02197150
Frequency	0.5
Structure
Chemical Formula	C₈H₁₃NO₅
Molecular Mass	203.0794
SMILES	CCC(=O)C(C(=O)O)N(C)CC(=O)O
InChI Key	XPWRUTHGNYRWQP-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	alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	1,3-dicarbonyl compounds alpha-amino ketones amino acids beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids dicarboxylic acids and derivatives fatty acyls hydrocarbon derivatives methyl-branched fatty acids organic oxides organopnictogen compounds short-chain keto acids and derivatives trialkylamines
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 alpha-aminoketone alpha-amino acid organonitrogen compound organopnictogen compound tertiary amine methyl-branched fatty acid tertiary aliphatic amine branched fatty acid organic oxygen compound keto acid dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound 1,3-dicarbonyl compound amine organooxygen compound

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