DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:31 UTC
Update Date	2025-03-25 00:51:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188821
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₉N₅O₈
Molecular Mass	385.1234
SMILES	CC(O)C(OC1C(O)C(CO)OC1n1cnc2c(=O)[nH]c(N)nc21)C(=O)O
InChI Key	ULCCWKVUNQEHNS-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	amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkyl ethers heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carbonyl group ether lactam carboxylic acid amino acid or derivatives amino acid monosaccharide pyrimidone imidazopyrimidine carboxylic acid derivative dialkyl ether pyrimidine beta-hydroxy acid saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran purine nucleoside heteroaromatic compound hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hypoxanthine hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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