DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:47 UTC
Update Date	2025-03-21 18:38:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00119499
Frequency	21.8
Structure
Chemical Formula	C₁₆H₂₂N₆O₆
Molecular Mass	394.1601
SMILES	CC(=O)NC(C(=O)Nc1ncnc2c1ncn2C1CC(O)C(CO)O1)C(C)O
InChI Key	VHTFDVRDHKZUOH-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	acetamides alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-acyl-alpha amino acids n-arylamides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group fatty amide monosaccharide n-arylamide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam purine 2'-deoxyribonucleoside organoheterocyclic compound acetamide azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid tetrahydrofuran 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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