DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:09 UTC
Update Date	2025-03-25 00:51:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185675
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₅N₅O₇
Molecular Mass	341.0971
SMILES	Nc1nc(=O)c2c([nH]1)N(C1OC(CO)C(O)C1O)CC(C(=O)O)=N2
InChI Key	RPOZJGUGBCLFGH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pterins and derivatives
Direct Parent	pterin carboxylates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylarylamines heteroaromatic compounds hydrocarbon derivatives ketimines monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	ketimine carbonyl group carboxylic acid amino acid or derivatives amino acid imine monosaccharide pyrimidone carboxylic acid derivative pyrimidine propargyl-type 1,3-dipolar organic compound saccharide organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound dialkylarylamine primary alcohol alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound organic 1,3-dipolar compound pterin-6-carboxylate oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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