DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:16:16 UTC
Update Date	2025-03-21 18:34:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00101160
Frequency	27.0
Structure
Chemical Formula	C₁₄H₁₅N₅O₉
Molecular Mass	397.087
SMILES	O=C(O)CC(Nc1ncnc2c1ncn2C1OC(C(=O)O)C(O)C1O)C(=O)O
InChI Key	YUYGMSDYPDRYKH-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	1,2-diols alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans tricarboxylic acids and derivatives
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid monosaccharide tricarboxylic acid or derivatives alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine beta-hydroxy acid saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran purine nucleoside heteroaromatic compound hydroxy acid secondary amine secondary aliphatic/aromatic amine oxacycle organic oxygen compound aspartic acid or derivatives secondary alcohol hydrocarbon derivative purine organic nitrogen compound organooxygen compound amine

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