DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:16:02 UTC
Update Date	2025-03-21 18:34:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00100560
Frequency	27.2
Structure
Chemical Formula	C₁₂H₂₁N₃O₆
Molecular Mass	303.143
SMILES	CC(N)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)O)C(C)C
InChI Key	BVLPIIBTWIYOML-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids aspartic acid and derivatives branched fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives polypeptide 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 secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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