DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:25 UTC
Update Date	2025-03-21 18:38:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00120976
Frequency	21.5
Structure
Chemical Formula	C₁₁H₁₆Cl₂N₅O₁₂P₃
Molecular Mass	572.9385
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)C(Cl)(Cl)P(=O)(O)O)C(O)C1OP(=O)(O)O
InChI Key	VHWKGLAPCAPYMR-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	alkyl chlorides azacyclic compounds bisphosphonates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organochlorides organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates phosphonic acid esters primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate alkyl chloride organochloride purine ribonucleoside monophosphate monosaccharide imidazopyrimidine organohalogen compound pyrimidine phosphonic acid ester saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound alkyl halide imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol bisphosphonate azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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