DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:53 UTC
Update Date	2025-03-25 00:51:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02187400
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₄N₂O₄
Molecular Mass	284.1736
SMILES	CC(C)C(NC(=O)C1C(O)CC2CCC1N2C)C(=O)O
InChI Key	ZKTRLENAOPONTE-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 heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids cyclic alcohols and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids methyl-branched fatty acids monocarboxylic acids and derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds piperidinecarboxamides piperidines secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives trialkylamines tropane alkaloids valine and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid heterocyclic fatty acid fatty acid aliphatic heteropolycyclic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid pyrrolidine piperidine tertiary amine organoheterocyclic compound alcohol methyl-branched fatty acid azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine piperidinecarboxamide valine or derivatives tertiary aliphatic amine 3-piperidinecarboxamide cyclic alcohol carboxamide group branched fatty acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound tropane alkaloid amine organooxygen compound

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