DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:15:43 UTC
Update Date	2025-03-21 18:34:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00099782
Frequency	53.5
Structure
Chemical Formula	C₁₄H₁₇N₅O₉
Molecular Mass	399.1026
SMILES	O=C(O)CC(Nc1ncnc2c1[nH]c(=O)n2C1OC(CO)C(O)C1O)C(=O)O
InChI Key	XWXIIEFVEMQEES-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 aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purinones pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid monosaccharide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative purinone pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol carbonic acid derivative azacycle tetrahydrofuran purine nucleoside heteroaromatic compound secondary amine secondary aliphatic/aromatic amine oxacycle organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative purine organic nitrogen compound organooxygen compound amine

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