DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:14 UTC
Update Date	2025-03-25 00:53:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199498
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₅N₃O₆
Molecular Mass	309.0961
SMILES	NC(=O)CC(NC(=O)c1ccc(NCC(=O)O)cc1)C(=O)O
InChI Key	DPVRWTVWFYAGGZ-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	asparagine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty amides hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines primary carboxylic acid amides secondary alkylarylamines secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid amino acid fatty amide benzoyl benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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