DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:50 UTC
Update Date	2025-03-25 01:02:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02253537
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₅N₅O₅
Molecular Mass	297.1073
SMILES	Nc1nc(=O)c2c([nH]1)NCC(C(O)CC(O)CC(=O)O)=N2
InChI Key	YSNGQXXXFIEHJE-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	amino acids amino fatty acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids ketimines medium-chain fatty acids medium-chain hydroxy acids and derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alcohols 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 carboxylic acid derivative medium-chain hydroxy acid pyrimidine propargyl-type 1,3-dipolar organic compound beta-hydroxy acid organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid alcohol vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound hydroxy acid secondary amine amino fatty acid secondary aliphatic/aromatic amine monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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