DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:03 UTC
Update Date	2025-03-25 00:47:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160286
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₀N₆O₃
Molecular Mass	308.1597
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CNCCCCCC(=O)O)=N2
InChI Key	CCEOZAJGDYYDSW-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 carbonyl compounds carboxylic acids dialkylamines heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives ketimines medium-chain fatty acids monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines 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 carboxylic acid derivative pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound medium-chain fatty acid vinylogous amide secondary aliphatic amine 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 amine organic nitrogen compound amine organooxygen compound

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