DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:43 UTC
Update Date	2025-03-21 18:41:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00133446
Frequency	18.9
Structure
Chemical Formula	C₁₂H₁₇N₆O₇P
Molecular Mass	388.0896
SMILES	CC(=O)NC1C(OP(=O)(O)O)C(CO)OC1n1cnc2c(N)ncnc21
InChI Key	ITIRGOSYXQQFSB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	ribonucleoside 3'-phosphates
Subclass	ribonucleoside 3'-phosphates
Direct Parent	ribonucleoside 3'-phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound acetamide azole n-substituted imidazole ribonucleoside 3'-phosphate alcohol azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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