DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:03 UTC
Update Date	2025-03-25 00:59:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240192
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₅N₅O₅
Molecular Mass	367.1856
SMILES	NC(CCCN1CCCC1C(=O)O)C(=O)NC(Cc1cnc[nH]1)C(=O)O
InChI Key	AYZFJMMASOHNTB-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 acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines n-acyl amines n-acyl-alpha amino acids n-alkylpyrrolidines organic oxides organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids secondary carboxylic acid amides trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid fatty amide alpha-amino acid or derivatives organic oxide imidazole pyrrolidine carboxylic acid alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine heteroaromatic compound tertiary aliphatic amine carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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