DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:49:16 UTC
Update Date	2025-03-21 18:02:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00036810
Frequency	114.6
Structure
Chemical Formula	C₁₇H₂₁N₃O₆
Molecular Mass	363.143
SMILES	O=C(O)CCC(NC(=O)c1ccc(NCC2CCC(=O)N2)cc1)C(=O)O
InChI Key	NMTBTYQXUQNRNM-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	alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids delta amino acids and derivatives dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives lactams n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines pyrrolidine-2-ones secondary alkylarylamines secondary carboxylic acid amides
Substituents	2-pyrrolidone monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound amino acid benzoyl benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives pyrrolidine pyrrolidone organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine 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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