DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:38 UTC
Update Date	2025-03-25 01:01:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02250859
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₆ClN₅O₇
Molecular Mass	401.0738
SMILES	O=C(O)CC(Nc1nc(Cl)nc2c1ncn2C1CC(O)C(CO)O1)C(=O)O
InChI Key	JJJWOZQFQOPBPC-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	2-halopyrimidines alpha amino acids amino acids aryl chlorides aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organochlorides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	2-halopyrimidine carbonyl group carboxylic acid amino acid or derivatives amino acid organochloride monosaccharide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative organohalogen compound pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam purine 2'-deoxyribonucleoside organoheterocyclic compound azole n-substituted imidazole aryl chloride alcohol azacycle tetrahydrofuran heteroaromatic compound secondary amine halopyrimidine secondary aliphatic/aromatic amine aryl halide oxacycle organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative purine organic nitrogen compound organooxygen compound amine

Showing information for DMID02250859