DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:53 UTC
Update Date	2025-03-25 00:47:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02164433
Frequency	0.5
Structure
Chemical Formula	C₈H₁₄N₂O₅
Molecular Mass	218.0903
SMILES	CC(N)C(CCC(=O)O)NC(=O)C(=O)O
InChI Key	PGGDBJQZUKSBEP-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	delta amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives fatty acid alpha-amino acid or derivatives carboxamide group amino fatty acid secondary carboxylic acid amide organic oxide organic oxygen compound organonitrogen compound alpha-amino acid dicarboxylic acid or derivatives organopnictogen compound delta amino acid or derivatives hydrocarbon derivative medium-chain fatty acid primary aliphatic amine organic nitrogen compound organooxygen compound

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