DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:39 UTC
Update Date	2025-03-25 00:54:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207286
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₆N₆O₇
Molecular Mass	356.108
SMILES	Nc1nc2nc(NCC(=O)O)n(C3OC(CO)C(O)C3O)c2c(=O)[nH]1
InChI Key	QCCXZFIVMJZQKE-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 acids amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles nucleoside and nucleotide analogues organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines purines and purine derivatives pyrimidones secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	carbonyl group lactam carboxylic acid amino acid or derivatives amino acid monosaccharide pyrimidone 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 organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran purine nucleoside heteroaromatic compound secondary amine secondary aliphatic/aromatic amine oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hypoxanthine hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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