DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:03 UTC
Update Date	2025-03-25 00:58:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233387
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₇N₅O₅
Molecular Mass	369.2012
SMILES	NCCCC(=O)NC(Cc1nccn1CCCCC(N)C(=O)O)C(=O)O
InChI Key	KJIMUPSZESYSBM-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	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives imidazoles medium-chain fatty acids monoalkylamines n-acyl amines n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid gamma amino acid or derivatives fatty amide fatty acid organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organoheterocyclic compound azole n-substituted imidazole azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group amino fatty acid n-acyl-amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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