DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:45:53 UTC
Update Date	2025-03-21 18:00:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00028725
Frequency	130.8
Structure
Chemical Formula	C₁₆H₁₉N₃O₄
Molecular Mass	317.1376
SMILES	O=C(O)C(Cc1c[nH]c2ccc(O)cc12)NC(=O)C1CCCN1
InChI Key	HMUNIHWREOZHHM-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 heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids dialkylamines heteroaromatic compounds hydrocarbon derivatives indoles monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds proline and derivatives pyrroles pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid indole 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives secondary amine carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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