DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:25 UTC
Update Date	2025-03-21 18:05:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00058414
Frequency	54.1
Structure
Chemical Formula	C₁₉H₂₈N₆O₅
Molecular Mass	420.2121
SMILES	CC(=O)NC(CCCCn1cccc2nc(NCCCC(N)C(=O)O)nc1-2)C(=O)O
InChI Key	RUIHOMZUCFWLOR-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 heteropolycyclic compounds
Alternative Parents	2-halopyridines acetamides alpha amino acids amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxypyridines imidazoles imidazopyridines medium-chain fatty acids methylpyridines monoalkylamines organic oxides organopnictogen compounds polyhalopyridines secondary alkylarylamines secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid polyhalopyridine fatty acid imidazopyridine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid 2-halopyridine organoheterocyclic compound acetamide azole azacycle n-acyl-alpha-amino acid heteroaromatic compound hydroxypyridine methylpyridine secondary amine carboxamide group amino fatty acid secondary aliphatic/aromatic amine secondary carboxylic acid amide pyridine organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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