DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:57 UTC
Update Date	2025-03-25 00:59:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237719
Frequency	0.5
Structure
Chemical Formula	C₉H₁₃N₅O₃
Molecular Mass	239.1018
SMILES	Nc1ncnc(NCCCC(=O)O)c1NC=O
InChI Key	NEWJZQXYCNPDHB-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	gamma amino acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidolactams monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds primary amines pyrimidines and pyrimidine derivatives secondary alkylarylamines secondary carboxylic acid amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid gamma amino acid or derivatives n-arylamide pyrimidine organic oxide organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azacycle heteroaromatic compound secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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