DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:20:41 UTC
Update Date	2025-03-21 18:36:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00112013
Frequency	23.7
Structure
Chemical Formula	C₁₁H₁₄Cl₃N₅O₉P₂
Molecular Mass	526.9332
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)C(Cl)(Cl)Cl)C(O)C1O
InChI Key	LSLLNLZPBKAKNL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols alkyl chlorides azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organochlorides organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans trihalomethanes
Substituents	pentose phosphate purine ribonucleoside monophosphate alkyl chloride organochloride monosaccharide pentose-5-phosphate imidazopyrimidine organohalogen compound pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound alkyl halide imidolactam organophosphonic acid derivative organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol halomethane trihalomethane azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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