DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:14:13 UTC
Update Date	2025-03-25 01:21:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02371638
Frequency	0.5
Structure
Chemical Formula	C₂₃H₃₂N₁₀O₂₁P₄
Molecular Mass	908.0694
SMILES	CC(OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(OP(=O)(O)O)C2O)OC1n1cnc2c(N)ncnc21)C(=O)O
InChI Key	PBPYRDVFIXZBIF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside triphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkyl ethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside 2',5'-bisphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	carbonyl group ether carboxylic acid pentose phosphate amino acid or derivatives amino acid purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative dialkyl ether pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole purine ribonucleoside 2',5'-bisphosphate organonitrogen compound organopnictogen compound imidolactam purine ribonucleoside triphosphate organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

Showing information for DMID02371638