DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:31 UTC
Update Date	2025-03-25 00:45:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152334
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₂N₂O₄
Molecular Mass	342.158
SMILES	NC(CCCCc1ccc(Nc2ccccc2C(=O)O)cc1)C(=O)O
InChI Key	ZJVIHCQWBQOBAC-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	alpha amino acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds amino acids amino fatty acids benzoic acids benzoyl derivatives carbocyclic fatty acids carbonyl compounds dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines organic oxides organopnictogen compounds secondary amines vinylogous amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid 1-carboxy-2-haloaromatic compound benzoic acid vinylogous amide benzoic acid or derivatives secondary amine amino fatty acid aromatic homomonocyclic compound organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amine

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