DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:12 UTC
Update Date	2025-03-25 00:54:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206264
Frequency	0.5
Structure
Chemical Formula	C₇H₁₀N₂O₄
Molecular Mass	186.0641
SMILES	C=CC(=O)C(N)C(=O)NCC(=O)O
InChI Key	JEACOQSKZPQZTG-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	1,3-dicarbonyl compounds acryloyl compounds alpha amino acid amides alpha amino acids carboxylic acids dipeptides enones hydrocarbon derivatives ketones monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide alpha,beta-unsaturated ketone alpha peptide ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound enone alpha-amino acid amide carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative acryloyl-group primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound

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