DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:49 UTC
Update Date	2025-03-25 00:59:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239679
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₃N₇O₅
Molecular Mass	393.1761
SMILES	NCC(=O)N1CCN(c2ncnc3c2ncn3C2OC(CO)C(O)C2O)CC1
InChI Key	VWVZKVXRDMRKRB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids aminopyrimidines and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkylarylamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkylamines monosaccharides n-arylpiperazines n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives secondary alcohols tertiary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group monosaccharide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide piperazine aromatic heteropolycyclic compound imidazole tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol alpha-amino acid amide azacycle tetrahydrofuran purine nucleoside heteroaromatic compound carboxamide group aminopyrimidine oxacycle organic oxygen compound 1,4-diazinane secondary alcohol hydrocarbon derivative primary aliphatic amine purine organic nitrogen compound n-arylpiperazine organooxygen compound

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