DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:28 UTC
Update Date	2025-03-21 18:06:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00065629
Frequency	46.6
Structure
Chemical Formula	C₁₂H₂₁N₃O₆
Molecular Mass	303.143
SMILES	CC(C)C(NC(=O)CCC(N)C(=O)NCC(=O)O)C(=O)O
InChI Key	HARYYKMKJWXAAB-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	alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dipeptides glutamine and derivatives hydrocarbon derivatives methyl-branched fatty acids monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide fatty acid alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound methyl-branched fatty acid alpha-amino acid amide valine or derivatives carboxamide group branched fatty acid n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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