DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:55 UTC
Update Date	2025-03-21 18:40:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00129254
Frequency	19.7
Structure
Chemical Formula	C₁₉H₂₈N₆O₁₄P₂
Molecular Mass	626.1139
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(N3CCCC3=O)C(O)C2O)C(O)C1O
InChI Key	CFXAMCSXYOAMHC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-alkylpyrrolidines n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives pyrrolidine-2-ones secondary alcohols tertiary carboxylic acid amides tetrahydrofurans
Substituents	2-pyrrolidone carbonyl group lactam pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole tertiary carboxylic acid amide organonitrogen compound organopnictogen compound pyrrolidine imidolactam pyrrolidone organoheterocyclic compound azole n-substituted imidazole alcohol azacycle n-alkylpyrrolidine tetrahydrofuran heteroaromatic compound carboxamide group organic pyrophosphate 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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