DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:04 UTC
Update Date	2025-03-25 00:50:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02183220
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₈N₄O₁₄P₂
Molecular Mass	516.0295
SMILES	O=C(OP(=O)(O)OCC1OC(n2cnc3c(=O)[nH]cnc32)C(O)C1O)C(O)COP(=O)(O)O
InChI Key	KZJIYACJTWRMJY-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	acyl phosphates azacyclic compounds carbonyl compounds 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 pyrimidones secondary alcohols sugar acids and derivatives tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide glyceric_acid aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole n-substituted imidazole alcohol 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 alkyl phosphate organooxygen compound acyl phosphate

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