DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:10:36 UTC
Update Date	2025-03-21 18:31:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00087478
Frequency	43.3
Structure
Chemical Formula	C₁₄H₂₅N₃O₅
Molecular Mass	315.1794
SMILES	CC(C)CC(N)C(=O)NC(CCN1CCC1C(=O)O)C(=O)O
InChI Key	ROMZIYVCRYGVOV-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 heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids amino fatty acids azacyclic compounds azetidinecarboxylic acids azetidines branched fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives leucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid fatty amide fatty acid azetidinecarboxylic acid alpha-amino acid or derivatives organic oxide leucine or derivatives aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid tertiary aliphatic amine amino fatty acid carboxamide group branched fatty acid n-acyl-amine azetidine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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