DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:42 UTC
Update Date	2025-03-25 01:02:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02253256
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₁N₅O₈
Molecular Mass	423.139
SMILES	O=C(O)C1CCCN1C(=O)Cn1cnc2c(ncn2C2OC(CO)C(O)C2O)c1=O
InChI Key	KQJMPJQAVYZBBV-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 azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids n-acylpyrrolidines n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols proline and derivatives purines and purine derivatives pyrimidones pyrrolidine carboxylic acids secondary alcohols tertiary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam carboxylic acid n-acylpyrrolidine monosaccharide pyrimidone alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole pyrrolidine carboxylic acid tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine primary alcohol organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives proline or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid tetrahydrofuran purine nucleoside heteroaromatic compound carboxamide group oxacycle monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol hypoxanthine hydrocarbon derivative purine organic nitrogen compound organooxygen compound

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