DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:00 UTC
Update Date	2025-03-25 00:59:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240097
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₄N₆O₇
Molecular Mass	412.1706
SMILES	NC(CCCCNc1nc(=O)c2cnn(C3OC(CO)C(O)C3O)c2[nH]1)C(=O)O
InChI Key	KKWNKBLNNISJSF-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 amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds primary alcohols pyrazoles pyrazolo[3,4-d]pyrimidines pyrimidones secondary alcohols secondary alkylarylamines tetrahydrofurans vinylogous amides
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid pyrazolo[3,4-d]pyrimidine glycoside monosaccharide fatty acid pyrimidone alpha-amino acid or derivatives carboxylic acid derivative medium-chain hydroxy acid pyrazole pyrimidine saccharide organic oxide pyrazolopyrimidine aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid primary alcohol organoheterocyclic compound azole pyrazolo[3,4-d]pyrimidine alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound secondary amine amino fatty acid secondary aliphatic/aromatic amine oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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