DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:45 UTC
Update Date	2025-03-25 00:46:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152898
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₇N₇O₆
Molecular Mass	367.124
SMILES	NC(=O)NC(O)C(=O)Nc1ncnc2c1ncn2C1CC(O)C(CO)O1
InChI Key	HSCXWKCEQWDHDI-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	alkanolamines alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-arylamides n-carbamoyl-alpha amino acids n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group monosaccharide n-arylamide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam purine 2'-deoxyribonucleoside organoheterocyclic compound alkanolamine azole n-substituted imidazole alcohol carbonic acid derivative alpha-amino acid amide azacycle tetrahydrofuran n-carbamoyl-alpha-amino acid heteroaromatic compound carboxamide group n-substituted-alpha-amino acid oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative purine organic nitrogen compound organooxygen compound

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