DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:27 UTC
Update Date	2025-03-25 00:47:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02163445
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₅NO₆
Molecular Mass	245.0899
SMILES	O=C(O)C(O)C(=O)CCCN1CCC1C(=O)O
InChI Key	ZXOJLPKMKYNCEV-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 heteromonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds acyloins alpha hydroxy acids and derivatives alpha-hydroxy ketones amino acids amino fatty acids azacyclic compounds azetidinecarboxylic acids azetidines beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids dicarboxylic acids and derivatives fatty acyls gamma-amino ketones heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain keto acids and derivatives monosaccharides organic oxides organopnictogen compounds secondary alcohols trialkylamines
Substituents	fatty acyl beta-hydroxy ketone carbonyl group carboxylic acid amino acid heterocyclic fatty acid alpha-hydroxy acid monosaccharide azetidinecarboxylic acid alpha-hydroxy ketone beta-keto acid ketone saccharide organic oxide aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound hydroxy fatty acid tertiary amine organoheterocyclic compound alcohol gamma-aminoketone azacycle tertiary aliphatic amine hydroxy acid amino fatty acid azetidine organic oxygen compound keto acid acyloin secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound 1,3-dicarbonyl compound amine organooxygen compound medium-chain keto acid

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