DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:08 UTC
Update Date	2025-03-25 00:51:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185624
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₅N₅O₆
Molecular Mass	395.1805
SMILES	Nc1ncnc2c1ncn2C1OC(COCCCCCCC(=O)O)C(O)C1O
InChI Key	KMIWQJRQUYGATI-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 amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dialkyl ethers heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams medium-chain fatty acids medium-chain hydroxy acids and derivatives monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	fatty acyl carbonyl group ether carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid monosaccharide fatty acid imidazopyrimidine carboxylic acid derivative medium-chain hydroxy acid dialkyl ether pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran purine nucleoside heteroaromatic compound amino fatty acid oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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