DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:17 UTC
Update Date	2025-03-25 00:45:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151806
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₀N₂O₇
Molecular Mass	352.1271
SMILES	NC(CCC(=O)NC(C(=O)O)C(=O)CCc1ccc(O)cc1)C(=O)O
InChI Key	GYGZLNFIXRLKQT-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	dipeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds 1-hydroxy-2-unsubstituted benzenoids alpha amino acids amino fatty acids beta-hydroxy ketones beta-keto acids and derivatives carbocyclic fatty acids carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain keto acids and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylbutylamines secondary carboxylic acid amides
Substituents	fatty acyl beta-hydroxy ketone carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives beta-keto acid ketone organic oxide phenylbutylamine organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group amino fatty acid n-acyl-amine aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide organic oxygen compound keto acid dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound medium-chain keto acid

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