DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:15:10 UTC
Update Date	2025-03-21 18:33:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00098459
Frequency	27.9
Structure
Chemical Formula	C₁₂H₁₄N₄O₆
Molecular Mass	310.0913
SMILES	Nc1ncnc2c1cc(C(=O)O)n2C1OC(CO)C(O)C1O
InChI Key	BAYYXMCXXIBOJF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrrolopyrimidine nucleosides and nucleotides
Subclass	pyrrolopyrimidine nucleosides and nucleotides
Direct Parent	pyrrolopyrimidine nucleosides and nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidolactams monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines pyrimidinecarboxylic acids pyrimidines and pyrimidine derivatives pyrrole 2-carboxylic acids pyrrole carboxylic acids and derivatives pyrrolo[2,3-d]pyrimidines secondary alcohols substituted pyrroles tetrahydrofurans
Substituents	carboxylic acid amino acid or derivatives amino acid monosaccharide substituted pyrrole carboxylic acid derivative pyrimidine pyrrolopyrimidine saccharide organic oxide pyrrolo[2,3-d]pyrimidine pyrrole-2-carboxylic acid pyrrole-2-carboxylic acid or derivatives aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound primary alcohol imidolactam pyrimidine-6-carboxylic acid organoheterocyclic compound alcohol azacycle tetrahydrofuran heteroaromatic compound pyrrolopyrimidine ribonucleoside oxacycle monocarboxylic acid or derivatives organic oxygen compound pyrrole secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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