DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:06 UTC
Update Date	2025-03-25 00:45:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149035
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₃N₃O₆
Molecular Mass	317.1587
SMILES	CC(O)C(=O)NC(=O)C(NC(=O)CCC(N)C(=O)O)C(C)C
InChI Key	APVZNXRFXZAPRE-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	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids branched fatty acids carbonyl compounds carboxylic acids dicarboximides glutamine and derivatives hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-unsubstituted carboxylic acid imides organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid imide, n-unsubstituted organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid dicarboximide n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid carboxylic acid imide alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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