DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:22:15 UTC
Update Date	2025-03-21 18:37:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00115815
Frequency	22.7
Structure
Chemical Formula	C₁₇H₂₁N₃O₆
Molecular Mass	363.143
SMILES	O=C(O)CCC(NC(=O)c1ccc(NC(=O)C2CCCN2)cc1)C(=O)O
InChI Key	IEOJTPPAOAJFPT-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	glutamic acid and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acylaminobenzoic acid and derivatives alpha amino acid amides alpha amino acids amino acids anilides azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids n-arylamides organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid benzoyl n-arylamide benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine acylaminobenzoic acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group anilide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

Showing information for DMID00115815