DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:28 UTC
Update Date	2025-03-21 18:41:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00135106
Frequency	18.6
Structure
Chemical Formula	C₁₅H₂₀N₆O₇
Molecular Mass	396.1393
SMILES	Nc1ncnc2c1ncn2C1OC(COC(=O)CCC(N)C(=O)O)C(O)C1O
InChI Key	CTUYZRWOTKUTNB-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 carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters glutamic acid 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 tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid monosaccharide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine 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 glutamic acid or derivatives oxacycle fatty acid ester organic oxygen compound carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine primary amine purine organic nitrogen compound amine organooxygen compound

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