DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:17 UTC
Update Date	2025-03-25 00:54:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02208799
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₂N₂O₃
Molecular Mass	254.163
SMILES	CC(C)C(NC(=O)C1CCC2CCCN21)C(=O)O
InChI Key	WBCSMFNETXAWNI-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 heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids heterocyclic fatty acids hydrocarbon derivatives methyl-branched fatty acids monocarboxylic acids and derivatives n-acyl-alpha amino acids n-alkylpyrrolidines organic oxides organopnictogen compounds pyrrolidinecarboxamides pyrrolizidines secondary carboxylic acid amides trialkylamines valine and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid fatty acid alpha-amino acid or derivatives aliphatic heteropolycyclic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives methyl-branched fatty acid alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine valine or derivatives tertiary aliphatic amine carboxamide group branched fatty acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative pyrrolizidine organic nitrogen compound pyrrolidine-2-carboxamide amine organooxygen compound

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