DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:47 UTC
Update Date	2025-03-21 18:29:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00078465
Frequency	37.3
Structure
Chemical Formula	C₉H₁₄N₃O₁₃P₃
Molecular Mass	464.9739
SMILES	Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C3OP(=O)(O)OC32)c(=O)n1
InChI Key	YRVUSIIKICIDDK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	cyclic pyrimidine nucleotides
Direct Parent	2',3'-cyclic pyrimidine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds dioxaphospholanes heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkyl phosphates organic carbonic acids and derivatives organic oxides organic pyrophosphates organooxygen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines pyrimidones ribonucleoside 3'-phosphates tetrahydrofurans
Substituents	pentose phosphate pyrimidone pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound ribonucleoside 3'-phosphate carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound 1,3_dioxaphospholane 2',3'-cyclic pyrimidine ribonucleotide organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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