DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:56 UTC
Update Date	2025-03-21 18:05:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00059639
Frequency	52.7
Structure
Chemical Formula	C₁₉H₂₉N₅O₁₇P₂
Molecular Mass	661.1034
SMILES	CC(OC1C(O)C(CO)OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C1O)C(=O)O
InChI Key	FIJHEWFQYVEDEF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	monosaccharides
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 n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines purine ribonucleoside diphosphates 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 organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound oxane primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle monocarboxylic acid or derivatives phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

Showing information for DMID00059639