DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:51:15 UTC
Update Date	2025-03-21 18:02:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00041504
Frequency	82.7
Structure
Chemical Formula	C₁₆H₂₄N₆O₆
Molecular Mass	396.1757
SMILES	NC(CCCCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(=O)O
InChI Key	JENNEOYLOBAPHB-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	alpha amino acids amino acids amino fatty acids azacyclic compounds 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 monoalkylamines 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 alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative medium-chain hydroxy acid pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid 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 secondary aliphatic/aromatic amine oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine purine organic nitrogen compound organooxygen compound amine

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