DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:59 UTC
Update Date	2025-03-25 00:59:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237806
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₈N₆O₁₀
Molecular Mass	442.1084
SMILES	Nc1nc2c(ncn2C2OC(CO)C(O)C2OC(=O)NC(CC(=O)O)C(=O)O)c(=O)[nH]1
InChI Key	DCXUWLCWJHBYCK-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 carbamate esters carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines purines and purine derivatives pyrimidones secondary alcohols 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 carbonic acid derivative azacycle tetrahydrofuran purine nucleoside heteroaromatic compound carbamic acid ester oxacycle organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hypoxanthine hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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