DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:55 UTC
Update Date	2025-03-25 00:49:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171389
Frequency	0.5
Structure
Chemical Formula	C₉H₁₈N₂O₄
Molecular Mass	218.1267
SMILES	COCCC(NC(=O)CCCN)C(=O)O
InChI Key	YHQYBTLNPHBBGR-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids dialkyl ethers fatty acids and conjugates gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group ether carboxylic acid short-chain hydroxy acid gamma amino acid or derivatives fatty amide fatty acid dialkyl ether organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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