DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:52:27 UTC
Update Date	2025-03-21 18:03:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00044442
Frequency	76.1
Structure
Chemical Formula	C₁₀H₁₃N₅O₁₀P₂
Molecular Mass	425.0138
SMILES	Nc1nc2c(ncn2C2OC(COP(=O)(O)O)C3OP(=O)(O)OC32)c(=O)[nH]1
InChI Key	ZBMMALUAVDLKSL-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	2',3'-cyclic purine nucleotides azacyclic compounds dioxaphospholanes heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates n-substituted imidazoles organic oxides organooxygen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidones ribonucleoside 3'-phosphates tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate pyrimidone imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate vinylogous amide azacycle tetrahydrofuran heteroaromatic compound 1,3_dioxaphospholane oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate hypoxanthine 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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