DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:50:37 UTC
Update Date	2025-03-21 18:02:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00039964
Frequency	86.7
Structure
Chemical Formula	C₁₅H₂₀N₆O₇
Molecular Mass	396.1393
SMILES	NC(CCC(=O)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(=O)O
InChI Key	QBDKCIFKXQGVNE-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 azacyclic compounds carbonyl compounds carboxylic acids fatty amides glutamine and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkylamines monocarboxylic acids and derivatives monosaccharides n-arylamides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid glutamine or derivatives fatty amide monosaccharide n-arylamide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran purine nucleoside heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine purine organic nitrogen compound organooxygen compound

Showing information for DMID00039964