DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:58:03 UTC
Update Date	2025-03-24 20:33:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01484876
Frequency	0.9
Structure
Chemical Formula	C₂₀H₂₉N₁₀O₂₇P₇
Molecular Mass	1057.9367
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C3OP(=O)(O)OC23)C(O)C1O
InChI Key	LCFPFYZAFCDGLE-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	1,2-diols 2',3'-cyclic purine nucleotides azacyclic compounds dioxaphospholanes heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives ribonucleoside 3'-phosphates secondary alcohols tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole ribonucleoside 3'-phosphate alcohol azacycle tetrahydrofuran heteroaromatic compound 1,3_dioxaphospholane 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 2',3'-cyclic purine ribonucleotide

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