DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:18 UTC
Update Date	2025-03-25 00:54:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206471
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₄N₆O₇
Molecular Mass	412.1706
SMILES	NC(CCCCNc1ncnc2c1[nH]c(=O)n2C1OC(CO)C(O)C1O)C(=O)O
InChI Key	XMZDSJONXDBEQY-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 carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purinones 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 purinone 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 carbonic acid derivative 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 purine primary aliphatic amine organic nitrogen compound organooxygen compound amine

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