DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:44 UTC
Update Date	2025-03-25 00:54:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02209871
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₂N₄O₃
Molecular Mass	270.1692
SMILES	CC(N)C(=O)N1CCCC1C(=O)NCCCC(N)=O
InChI Key	WTGYVCPFSVMXFB-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 azacyclic compounds carbonyl compounds carboxylic acids and derivatives fatty amides gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group gamma amino acid or derivatives fatty amide n-acylpyrrolidine alpha-amino acid or derivatives organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound proline or derivatives alpha-amino acid amide azacycle carboxamide group alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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