DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:04:24 UTC
Update Date	2025-03-25 00:55:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02211510
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈N₃O₉P
Molecular Mass	379.0781
SMILES	CC(=O)Nc1ccn(C2OC(CO)C(OP(=O)(O)O)C2O)c(=O)c1N
InChI Key	JRCHIGMHWQBCRS-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 heteromonocyclic compounds
Alternative Parents	acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines lactams methylpyridines monoalkyl phosphates monosaccharides n-acetylarylamines organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates polyhalopyridines primary alcohols primary amines pyridinones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam n-acetylarylamine aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives polyhalopyridine monosaccharide n-arylamide carboxylic acid derivative saccharide organic oxide organonitrogen compound organopnictogen compound primary alcohol organoheterocyclic compound acetamide ribonucleoside 3'-phosphate alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine methylpyridine carboxamide group oxacycle secondary carboxylic acid amide pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound pyridinone organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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