DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:49 UTC
Update Date	2025-03-21 18:39:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00126613
Frequency	20.2
Structure
Chemical Formula	C₁₈H₂₄N₈O₁₆P₂
Molecular Mass	670.0785
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3c(=O)[nH]c(=O)[nH]c3=O)C(O)C2O)C(O)C1O
InChI Key	PKOKNORAAFPPJN-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	1,3,5-triazines azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans triazinones
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol triazine hydrocarbon derivative 1,3,5-triazine purine primary amine organic nitrogen compound organic phosphoric acid derivative amine triazinone alkyl phosphate organooxygen compound

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