DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:14 UTC
Update Date	2025-03-25 00:47:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160711
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₅N₆O₇+
Molecular Mass	413.1779
SMILES	Nc1nc2c(c(=O)[nH]1)[n+](CCCCC(N)C(=O)O)cn2C1OC(CO)C(O)C1O
InChI Key	BEKCCFKDPUPFAU-UHFFFAOYSA-O
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 hypoxanthines imidazoles lactams medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic cations organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam carboxylic acid amino acid or derivatives monosaccharide alpha-amino acid or derivatives imidazopyrimidine medium-chain hydroxy acid saccharide organonitrogen compound alpha-amino acid hydroxy fatty acid organoheterocyclic compound alcohol vinylogous amide azacycle purine nucleoside heteroaromatic compound hypoxanthine hydrocarbon derivative primary aliphatic amine primary amine amine fatty acyl carbonyl group amino acid heterocyclic fatty acid fatty acid pyrimidone carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound medium-chain fatty acid organic cation primary alcohol azole n-substituted imidazole tetrahydrofuran amino fatty acid oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol purine organic nitrogen compound organooxygen compound

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