DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:13 UTC
Update Date	2025-03-21 18:33:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00096121
Frequency	28.8
Structure
Chemical Formula	C₁₆H₂₃N₅O₉
Molecular Mass	429.1496
SMILES	O=C(O)CC(Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(O)C(O)CO
InChI Key	XKDKQRBRYSTUFC-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 amino fatty acids azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams medium-chain fatty acids medium-chain hydroxy acids and derivatives monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid monosaccharide fatty acid imidazopyrimidine carboxylic acid derivative medium-chain hydroxy acid pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran purine nucleoside heteroaromatic compound secondary amine amino fatty acid beta amino acid or derivatives secondary aliphatic/aromatic amine oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative purine organic nitrogen compound organooxygen compound amine

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