DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:49:59 UTC
Update Date	2025-03-21 18:02:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00038538
Frequency	90.8
Structure
Chemical Formula	C₁₅H₂₁N₇O₇
Molecular Mass	411.1502
SMILES	CC(O)C(NC(N)=O)C(=O)Nc1ncnc2c1cnn2C1OC(CO)C(O)C1O
InChI Key	ISBGSMJMKSOSHB-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 azacyclic compounds carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives imidolactams monosaccharides n-arylamides n-carbamoyl-alpha amino acids organic carbonic acids and derivatives 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 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 n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole pyrazolo[3,4-d]pyrimidine alcohol carbonic acid derivative alpha-amino acid amide azacycle tetrahydrofuran n-carbamoyl-alpha-amino acid heteroaromatic compound carboxamide group n-substituted-alpha-amino acid oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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