DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:56:25 UTC
Update Date	2025-03-24 20:32:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01480990
Frequency	0.9
Structure
Chemical Formula	C₂₁H₃₁N₁₀O₂₃P₅
Molecular Mass	946.0252
SMILES	Nc1nc2c(ncn2C2C(O)C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C2O)c(=O)[nH]1
InChI Key	SIZXOTLYASPNSI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	nucleoside and nucleotide analogues
Subclass	nucleoside and nucleotide analogues
Direct Parent	nucleoside and nucleotide analogues
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds cyclitols and derivatives cyclopentanols heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine nucleosides purine ribonucleoside monophosphates purines and purine derivatives pyrimidones tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran purine nucleoside heteroaromatic compound cyclitol or derivatives cyclic alcohol cyclopentanol oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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