DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:58 UTC
Update Date	2025-03-25 00:54:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02203440
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₇N₅O₉
Molecular Mass	411.1026
SMILES	O=C(O)CC(Nc1ncnc2c1ncn2C1OC(CO)C(O)C1C(=O)O)C(=O)O
InChI Key	FFXBBNWMQLVZMA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine 2'-deoxyribonucleosides
Direct Parent	purine 2'-deoxyribonucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams 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 tricarboxylic acids and derivatives
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid monosaccharide tricarboxylic acid or derivatives alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine beta-hydroxy acid saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam purine 2'-deoxyribonucleoside organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound hydroxy acid secondary amine secondary aliphatic/aromatic amine oxacycle organic oxygen compound aspartic acid or derivatives secondary alcohol hydrocarbon derivative purine organic nitrogen compound organooxygen compound amine

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