DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:45 UTC
Update Date	2025-03-25 00:49:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02177977
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉N₅O₈
Molecular Mass	397.1234
SMILES	Cn1c(NC(CC(=O)O)C(=O)O)nc2c(ncn2C2CC(O)C(CO)O2)c1=O
InChI Key	GUSVODIKFZYAHF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine 2'-deoxyribonucleosides
Direct Parent	purine 2'-deoxyribonucleosides
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 hypoxanthines imidazoles lactams monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidones secondary alcohols secondary alkylarylamines tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam carboxylic acid amino acid or derivatives amino acid monosaccharide pyrimidone alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol purine 2'-deoxyribonucleoside organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound secondary amine secondary aliphatic/aromatic amine oxacycle organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hypoxanthine hydrocarbon derivative purine organic nitrogen compound organooxygen compound amine

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