DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:56 UTC
Update Date	2025-03-25 00:54:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205658
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₃N₇O₄
Molecular Mass	365.1812
SMILES	NCCCCC(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChI Key	PVFAXTUNOTZPTP-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 azacyclic compounds carbonyl compounds carboxylic acids and derivatives delta amino acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkylamines monosaccharides n-acyl amines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group amino acid or derivatives fatty amide monosaccharide imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound delta amino acid or derivatives imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol 5'-deoxyribonucleoside azacycle tetrahydrofuran heteroaromatic compound carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine purine organic nitrogen compound amine organooxygen compound

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