DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 06:19:20 UTC
Update Date	2025-03-24 16:46:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00961126
Frequency	1.5
Structure
Chemical Formula	C₂₀H₂₉N₁₀O₂₂P₅
Molecular Mass	916.0146
SMILES	Nc1ncnc2c1N=CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n3cnc4c(N)ncnc43)C(O)C1O)C(O)C(O)C1ON21
InChI Key	CNGGSVIISQEGAS-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	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams imines monoalkyl phosphates monosaccharides n-organohydroxylamines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines propargyl-type 1,3-dipolar organic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate imine purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine propargyl-type 1,3-dipolar organic compound saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound organic 1,3-dipolar compound n-organohydroxylamine 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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