DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:31 UTC
Update Date	2025-03-25 00:56:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02218709
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₅N₄O₁₀P
Molecular Mass	406.0526
SMILES	Cn1c(C(=O)O)nc2c(ncn2C2OC(COP(=O)(O)O)C(O)C2O)c1=O
InChI Key	BJTHIULJHTUQGA-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 azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidinecarboxylic acids pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam carboxylic acid pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol pyrimidine-2-carboxylic acid vinylogous amide azacycle tetrahydrofuran heteroaromatic compound oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative pyrimidine-2-carboxylic acid or derivatives alkyl phosphate organooxygen compound

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