DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:06 UTC
Update Date	2025-03-25 00:51:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185557
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₅F₂N₅O₁₁P₂
Molecular Mass	505.0211
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)C(F)(F)C(=O)O)C(O)C1O
InChI Key	LNPPNFHVTQMBFV-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 fluorides alpha-halocarboxylic acids amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organofluorides organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	alpha-halocarboxylic acid or derivatives carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine alpha-halocarboxylic acid saccharide organonitrogen compound organophosphorus compound organophosphonic acid derivative organoheterocyclic compound 1,2-diol alcohol azacycle alkyl fluoride heteroaromatic compound monoalkyl phosphate hydrocarbon derivative primary amine amine carbonyl group pentose phosphate amino acid carboxylic acid derivative organohalogen compound pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide imidolactam azole n-substituted imidazole tetrahydrofuran organofluoride oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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