DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:06 UTC
Update Date	2025-03-21 18:04:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00053011
Frequency	66.7
Structure
Chemical Formula	C₁₃H₁₂N₇O₇P
Molecular Mass	409.0536
SMILES	Nc1ncnc2c1ncn2C1OC(n2ccc(=O)[nH]c2=O)C2OP(=O)(O)OC21
InChI Key	CBNIVZLQFHOBNA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	ribonucleoside 3'-phosphates
Subclass	ribonucleoside 3'-phosphates
Direct Parent	ribonucleoside 3'-phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds dioxaphospholanes heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic phosphoric acids and derivatives organooxygen compounds organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidones tetrahydrofurans vinylogous amides
Substituents	lactam pyrimidone imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound 1,3_dioxaphospholane oxacycle organic oxygen compound hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound

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