DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:33 UTC
Update Date	2025-03-21 18:01:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00035034
Frequency	102.1
Structure
Chemical Formula	C₁₄H₁₇N₅O₈
Molecular Mass	383.1077
SMILES	O=C(O)CC(Nc1ncnc2c1cnn2C1OC(CO)C(O)C1O)C(=O)O
InChI Key	MCCQPBDVGHUUTO-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 acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams monosaccharides organic oxides organopnictogen compounds oxacyclic compounds primary alcohols pyrazoles pyrazolo[3,4-d]pyrimidines pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid pyrazolo[3,4-d]pyrimidine glycoside monosaccharide 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 azacycle tetrahydrofuran heteroaromatic compound secondary amine secondary aliphatic/aromatic amine oxacycle organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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