DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:03 UTC
Update Date	2025-03-21 18:40:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00131924
Frequency	19.2
Structure
Chemical Formula	C₁₁H₁₆N₆O₃
Molecular Mass	280.1284
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CCCC(N)C(=O)O)=N2
InChI Key	WZLRHVLGTZJALQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pterins and derivatives
Direct Parent	pterins and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives ketimines medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines vinylogous amides
Substituents	fatty acyl ketimine carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid imine fatty acid pyrimidone alpha-amino acid or derivatives carboxylic acid derivative pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine amino fatty acid secondary aliphatic/aromatic amine monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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