DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:30 UTC
Update Date	2025-03-25 01:01:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252799
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₃N₅O₉
Molecular Mass	429.1496
SMILES	NC(CCCCn1c(O)nc2c(O)nc(=O)n(C3OC(CO)C(O)C3O)c21)C(=O)O
InChI Key	ZQGXYRZWXYGNJI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	imidazopyrimidines
Subclass	purines and purine derivatives
Direct Parent	xanthines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkaloids and derivatives alpha amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids hydroxypyrimidines imidazoles medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols purinones pyrimidones secondary alcohols tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid monosaccharide fatty acid pyrimidone hydroxypyrimidine alpha-amino acid or derivatives carboxylic acid derivative medium-chain hydroxy acid purinone pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid primary alcohol azole n-substituted imidazole alcohol carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound xanthine amino fatty acid oxacycle monocarboxylic acid or derivatives alkaloid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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