DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:55:06 UTC
Update Date	2025-03-21 18:04:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00050741
Frequency	64.6
Structure
Chemical Formula	C₁₀H₁₁N₃O₅
Molecular Mass	253.0699
SMILES	Nc1cccnc1C(=O)NC(CC(=O)O)C(=O)O
InChI Key	LKPUPHNIXXXBJQ-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	aspartic acid and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-halopyridines 2-heteroaryl carboxamides alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines n-acyl-alpha amino acids organic oxides organopnictogen compounds polyhalopyridines primary amines pyridinecarboxylic acids and derivatives secondary carboxylic acid amides vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid polyhalopyridine 2-heteroaryl carboxamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 2-halopyridine organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound hydroxypyridine carboxamide group secondary carboxylic acid amide pyridine organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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