DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:09 UTC
Update Date	2025-03-25 00:51:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185655
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₀N₆O₅
Molecular Mass	400.1495
SMILES	Nc1nc(NC(=O)Cc2ccccc2)c2ncn(C3OC(CO)C(O)C3O)c2n1
InChI Key	DNGDSPZVAYQNOL-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 and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-arylamides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds phenylacetamides primary alcohols primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	monocyclic benzene moiety carbonyl group amino acid or derivatives monosaccharide n-arylamide imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam phenylacetamide organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran purine nucleoside heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid primary amine purine organic nitrogen compound amine organooxygen compound

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