DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:52:59 UTC
Update Date	2025-03-21 18:03:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00045732
Frequency	73.5
Structure
Chemical Formula	C₉H₁₄N₄O₈S
Molecular Mass	338.0532
SMILES	NC(=O)c1ncn(C2OC(COS(=O)(=O)O)C(O)C2O)c1N
InChI Key	CBQDLQSEVKOZNA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	imidazole ribonucleosides and ribonucleotides
Subclass	1-ribosyl-imidazolecarboxamides
Direct Parent	1-ribosyl-imidazolecarboxamides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols 2-heteroaryl carboxamides alkyl sulfates amino acids and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary amines primary carboxylic acid amides secondary alcohols sulfuric acid monoesters tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group sulfuric acid monoester aromatic heteromonocyclic compound amino acid or derivatives monosaccharide carboxylic acid derivative 2-heteroaryl carboxamide saccharide organic oxide imidazole alkyl sulfate organonitrogen compound organopnictogen compound imidazole-4-carbonyl group organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol vinylogous amide organic sulfuric acid or derivatives azacycle tetrahydrofuran heteroaromatic compound carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle organic oxygen compound secondary alcohol sulfate-ester hydrocarbon derivative primary amine organic nitrogen compound sulfuric acid ester amine organooxygen compound

Showing information for DMID00045732