DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:38:06 UTC
Update Date	2025-03-21 17:57:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00011065
Frequency	420.6
Structure
Chemical Formula	C₁₈H₂₇N₆O₁₂P
Molecular Mass	550.1425
SMILES	CC(=O)NC1C(OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC(CO)C(O)C1O
InChI Key	JAKPRUPYZVWBSY-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	acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams n-acyl-alpha-hexosamines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative n-acyl-alpha-hexosamine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound oxane primary alcohol imidolactam organoheterocyclic compound acetamide azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide dialkyl phosphate phosphoric acid ester secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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