DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:13:09 UTC
Update Date	2025-03-21 18:32:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00093603
Frequency	66.4
Structure
Chemical Formula	C₁₄H₁₇N₅O₉
Molecular Mass	399.1026
SMILES	O=C(O)CC(Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1)C(=O)O
InChI Key	XTALFFHAQRYASY-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 aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidones secondary alcohols secondary alkylarylamines tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam carboxylic acid amino acid or derivatives amino acid monosaccharide pyrimidone 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 secondary amine secondary aliphatic/aromatic amine oxacycle organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hypoxanthine hydrocarbon derivative purine organic nitrogen compound organooxygen compound amine

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