DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:44 UTC
Update Date	2025-03-25 00:57:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226010
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₁N₇O₅
Molecular Mass	379.1604
SMILES	CC(=O)NCCC(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChI Key	VIGQROLFSWQUPG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	5'-deoxyribonucleosides
Subclass	5'-deoxyribonucleosides
Direct Parent	5'-deoxyribonucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols acetamides azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group amino acid or derivatives monosaccharide imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound acetamide azole 1,2-diol n-substituted imidazole alcohol 5'-deoxyribonucleoside azacycle tetrahydrofuran heteroaromatic compound carboxamide group beta amino acid or derivatives oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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