DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:20 UTC
Update Date	2025-03-25 00:51:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186112
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₉N₁₀O₁₉P₄+
Molecular Mass	849.0555
SMILES	Nc1ncnc2c[n+](C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(OP(=O)(O)O)C4O)C(O)C3O)cnc12
InChI Key	CTOBENNEEXDZMS-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside triphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic cations organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside 2',5'-bisphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole purine ribonucleoside 2',5'-bisphosphate organonitrogen compound organopnictogen compound organic cation imidolactam purine ribonucleoside triphosphate organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound 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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