DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:45 UTC
Update Date	2025-03-21 18:37:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00114602
Frequency	23.0
Structure
Chemical Formula	C₁₄H₁₈N₄O₁₀
Molecular Mass	402.1023
SMILES	Nc1nc(=O)n(C2OC(CO)C(O)C2O)cc1C(=O)NC(CC(=O)O)C(=O)O
InChI Key	OJKHTLOMUBPENH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleosides
Subclass	pyrimidine nucleosides
Direct Parent	pyrimidine nucleosides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams monosaccharides n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines pyrimidinecarboxylic acids and derivatives pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid monosaccharide pyrimidone alpha-amino acid or derivatives carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound pyrimidine nucleoside primary alcohol imidolactam organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol vinylogous amide carbonic acid derivative azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound pyrimidine-5-carboxylic acid or derivatives carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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