DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:15 UTC
Update Date	2025-03-25 00:47:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160716
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₁N₇O₈
Molecular Mass	427.1452
SMILES	Nc1nc2c(nc(NC(=O)CCC(N)C(=O)O)n2C2OC(CO)C(O)C2O)c(=O)[nH]1
InChI Key	UKCLLRVKGOBGDA-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 amino acids azacyclic compounds carbonyl compounds carboxylic acids fatty amides glutamine and derivatives heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkylamines monocarboxylic acids and derivatives monosaccharides n-arylamides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	fatty acyl carbonyl group lactam carboxylic acid glutamine or derivatives amino acid or derivatives amino acid fatty amide monosaccharide pyrimidone 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 organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran purine nucleoside heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hypoxanthine hydrocarbon derivative primary aliphatic amine primary amine purine organic nitrogen compound amine organooxygen compound

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