DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:32 UTC
Update Date	2025-03-25 01:01:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252886
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₀N₆O₇
Molecular Mass	396.1393
SMILES	NC(CCCNc1ncnc2c1ncn2C1OC(C(=O)O)C(O)C1O)C(=O)O
InChI Key	XUFDYTDMWMWLNE-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	1,2-diols alpha amino acids amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkylamines monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid monosaccharide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine beta-hydroxy acid saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran purine nucleoside heteroaromatic compound hydroxy acid secondary amine secondary aliphatic/aromatic amine oxacycle organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine purine organic nitrogen compound organooxygen compound amine

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