DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:24 UTC
Update Date	2025-03-25 00:45:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152079
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₈N₆O₇
Molecular Mass	382.1237
SMILES	NC(CC(=O)O)C(=O)Nc1ncnc2c1cnn2C1OC(CO)C(O)C1O
InChI Key	VFLCYGFTIHDJEU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrazolo[3,4-d]pyrimidine glycosides
Subclass	pyrazolo[3,4-d]pyrimidine glycosides
Direct Parent	pyrazolo[3,4-d]pyrimidine glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkylamines monocarboxylic acids and derivatives monosaccharides n-arylamides organic oxides organopnictogen compounds oxacyclic compounds primary alcohols pyrazoles pyrazolo[3,4-d]pyrimidines pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid pyrazolo[3,4-d]pyrimidine glycoside fatty amide monosaccharide n-arylamide alpha-amino acid or derivatives carboxylic acid derivative pyrazole pyrimidine saccharide organic oxide pyrazolopyrimidine aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole pyrazolo[3,4-d]pyrimidine alcohol alpha-amino acid amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound aspartic acid or derivatives secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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