DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:27 UTC
Update Date	2025-03-21 18:29:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00077644
Frequency	37.8
Structure
Chemical Formula	C₁₁H₁₄N₂O₅
Molecular Mass	254.0903
SMILES	Cn1cccc1C(=O)NC(CCC(=O)O)C(=O)O
InChI Key	MXGTUNZQQAWBHF-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	2-heteroaryl carboxamides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives n-acyl-alpha amino acids n-methylpyrroles organic oxides organonitrogen compounds organopnictogen compounds pyrrole carboxamides secondary carboxylic acid amides substituted pyrroles
Substituents	carbonyl group n-methylpyrrole carboxylic acid aromatic heteromonocyclic compound substituted pyrrole 2-heteroaryl carboxamide organic oxide pyrrole-2-carboxylic acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound pyrrole-2-carboxamide organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid heteroaromatic compound glutamic acid or derivatives carboxamide group secondary carboxylic acid amide organic oxygen compound pyrrole dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

Showing information for DMID00077644