DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:51 UTC
Update Date	2025-03-25 00:49:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02175847
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₃Cl₂N₆O₁₅P₃
Molecular Mass	701.9811
SMILES	NC(CCC(=O)Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)C(O)C1O)C(=O)O
InChI Key	FMZQQUVINFVKLJ-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 alpha amino acids azacyclic compounds bisphosphonates carbonyl compounds carboxylic acids fatty amides glutamine and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-arylamides n-substituted imidazoles organic oxides organochlorides organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carboxylic acid glutamine or derivatives purine ribonucleoside monophosphate alkyl chloride organochloride monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine saccharide organonitrogen compound alpha-amino acid organophosphorus compound organophosphonic acid derivative organoheterocyclic compound 1,2-diol alcohol azacycle heteroaromatic compound secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary aliphatic amine fatty acyl carbonyl group pentose phosphate fatty amide n-arylamide carboxylic acid derivative organohalogen compound pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide imidolactam azole n-substituted imidazole bisphosphonate tetrahydrofuran carboxamide group 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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