DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:08 UTC
Update Date	2025-03-25 00:47:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160486
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₄N₄O₄
Molecular Mass	336.1798
SMILES	Nc1ccc(C(=O)NCCC(=O)NCCCCC(N)C(=O)O)cc1
InChI Key	OWWQHFDDGFBCJK-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	beta amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids benzamides benzoyl derivatives carbocyclic fatty acids carbonyl compounds carboxylic acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl fatty acid alpha-amino acid or derivatives benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid benzoic acid or derivatives carboxamide group amino fatty acid beta amino acid or derivatives aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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