DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:24 UTC
Update Date	2025-03-25 00:51:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186247
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₉N₅O₅
Molecular Mass	383.2169
SMILES	NCCCCC(=O)NC(Cc1cncn1CCCCC(N)C(=O)O)C(=O)O
InChI Key	PMKZKIBHPHNRAM-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 delta amino acids and derivatives dicarboxylic 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 fatty amide fatty acid organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives 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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