DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:54:43 UTC
Update Date	2025-03-21 18:04:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00049837
Frequency	66.1
Structure
Chemical Formula	C₁₄H₁₇N₇O₈
Molecular Mass	411.1139
SMILES	NC(=O)NC(C(=O)O)C(=O)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O
InChI Key	AAVQFNIXBDVCCC-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	1,3-dicarbonyl compounds alpha amino acid amides alpha amino acids azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-arylamides n-carbamoyl-alpha amino acids n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group carboxylic acid monosaccharide n-arylamide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol carbonic acid derivative alpha-amino acid amide azacycle tetrahydrofuran purine nucleoside n-carbamoyl-alpha-amino acid heteroaromatic compound carboxamide group n-substituted-alpha-amino acid oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative purine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound

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