DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:57 UTC
Update Date	2025-03-25 00:59:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237732
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₈N₄O₇
Molecular Mass	354.1175
SMILES	Nc1ncnc2c1c(C(O)CC(=O)O)cn2C1OC(CO)C(O)C1O
InChI Key	VXAZUNUGPVVCLZ-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 aromatic alcohols azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidolactams monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines pyrimidines and pyrimidine derivatives pyrrolo[2,3-d]pyrimidines secondary alcohols substituted pyrroles tetrahydrofurans
Substituents	aromatic alcohol carbonyl group carboxylic acid amino acid or derivatives amino acid monosaccharide substituted pyrrole carboxylic acid derivative pyrimidine pyrrolopyrimidine beta-hydroxy acid saccharide organic oxide pyrrolo[2,3-d]pyrimidine aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound alcohol azacycle tetrahydrofuran heteroaromatic compound hydroxy acid 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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