DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:55:01 UTC
Update Date	2025-03-21 18:04:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00050556
Frequency	64.9
Structure
Chemical Formula	C₁₂H₁₅N₃O₄
Molecular Mass	265.1063
SMILES	NC(=O)CCC(NC(=O)c1ccccc1N)C(=O)O
InChI Key	ZTNOBTHLZXGDBG-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	glutamine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids benzoyl derivatives carbonyl compounds carboxylic acids fatty amides hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary amines primary carboxylic acid amides secondary carboxylic acid amides vinylogous amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives amino acid fatty amide benzoyl benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives vinylogous amide n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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