DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:16 UTC
Update Date	2025-03-25 00:57:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225047
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉N₅O₂
Molecular Mass	301.1539
SMILES	Nc1ncnc(NCCCC(N)C(=O)O)c1-c1ccccc1
InChI Key	PFWBDXQJXQNNNC-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	alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds pyrimidines and pyrimidine derivatives secondary alkylarylamines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid pyrimidine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound azacycle heteroaromatic compound secondary amine secondary aliphatic/aromatic amine monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

Showing information for DMID02225047