DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:36 UTC
Update Date	2025-03-25 00:51:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184403
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₄N₆O
Molecular Mass	270.1229
SMILES	NC(Cc1c[nH]c2ccccc12)C(=O)Nc1nc[nH]n1
InChI Key	VUTCIRQIKHVOBD-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 acid amides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines n-arylamides organic oxides organopnictogen compounds pyrroles secondary carboxylic acid amides triazoles
Substituents	fatty acyl triazole carbonyl group indole fatty amide n-arylamide organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole alpha-amino acid amide 1,2,4-triazole azacycle heteroaromatic compound indole or derivatives carboxamide group secondary carboxylic acid amide organic oxygen compound pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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