DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:55:39 UTC
Update Date	2025-03-21 18:04:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00051979
Frequency	62.7
Structure
Chemical Formula	C₁₅H₁₈N₆O₉
Molecular Mass	426.1135
SMILES	O=C(O)CC(NC(=O)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(=O)O
InChI Key	PDNLLFPDEUAROJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-carbamoyl-alpha amino acids n-substituted imidazoles organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	carbonyl group carboxylic acid monosaccharide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol carbonic acid derivative azacycle tetrahydrofuran purine nucleoside n-carbamoyl-alpha-amino acid heteroaromatic compound oxacycle organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative purine organic nitrogen compound organooxygen compound

Showing information for DMID00051979