DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:42 UTC
Update Date	2025-03-25 00:47:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02161729
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₅N₅O₄
Molecular Mass	351.1907
SMILES	NCCCCC(NC(=O)C1CCCN1C(=O)Cc1cnc[nH]1)C(=O)O
InChI Key	JIQILHSJIGWAOY-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	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives imidazoles medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid n-acylpyrrolidine fatty acid alpha-amino acid or derivatives organic oxide imidazole tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid pyrrolidine organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group amino fatty acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives 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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