DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:44 UTC
Update Date	2025-03-21 18:41:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00135722
Frequency	18.5
Structure
Chemical Formula	C₁₅H₁₈N₂O₅
Molecular Mass	306.1216
SMILES	O=C(O)C(Cc1ccccc1)NC(=O)C1CCC(C(=O)O)N1
InChI Key	QNNWNCBLZFIDHH-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 heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids proline and derivatives pyrrolidine carboxylic acids pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid or derivatives amino acid alpha-amino acid or derivatives organic oxide pyrrolidine carboxylic acid organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary amine carboxamide group alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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