DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:41 UTC
Update Date	2025-03-21 18:06:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00066174
Frequency	46.1
Structure
Chemical Formula	C₁₂H₁₄N₄O₆
Molecular Mass	310.0913
SMILES	Nc1ncnc2c1c(C(=O)O)cn2C1OC(CO)C(O)C1O
InChI Key	WZXVKMQZIUJYSL-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	1-carboxy-2-haloaromatic compounds amino acids azacyclic compounds 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 carboxylic acids pyrrolo[2,3-d]pyrimidines secondary alcohols substituted pyrroles tetrahydrofurans vinylogous amides
Substituents	carboxylic acid pyrrole-3-carboxylic acid or derivatives amino acid or derivatives amino acid monosaccharide substituted pyrrole carboxylic acid derivative pyrimidine pyrrolopyrimidine saccharide organic oxide pyrrolo[2,3-d]pyrimidine aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound primary alcohol imidolactam organoheterocyclic compound alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound pyrimidine-5-carboxylic acid pyrrolopyrimidine ribonucleoside oxacycle monocarboxylic acid or derivatives organic oxygen compound pyrrole secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound pyrrole-3-carboxylic acid amine organooxygen compound

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