DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:23 UTC
Update Date	2025-03-25 00:54:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02209043
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₂N₂O₅
Molecular Mass	286.1529
SMILES	CC(C)C(=O)NC(CCN1CCCC1C(=O)O)C(=O)O
InChI Key	TXVPMLWEHQQSGY-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids azacyclic compounds branched fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids secondary carboxylic acid amides trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid fatty acid organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound proline or derivatives azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine tertiary aliphatic amine amino fatty acid carboxamide group branched fatty acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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