DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:00 UTC
Update Date	2025-03-25 00:58:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02228798
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₉N₃O₁₀S
Molecular Mass	409.0791
SMILES	CC(=O)NC(Cc1cn(C2OC(COS(=O)(=O)O)C(O)C2O)cn1)C(=O)O
InChI Key	MOLQGVOAAAFQEX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	imidazole ribonucleosides and ribonucleotides
Subclass	imidazole ribonucleosides and ribonucleotides
Direct Parent	imidazole ribonucleosides and ribonucleotides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols acetamides alkyl sulfates alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds secondary alcohols secondary carboxylic acid amides sulfuric acid monoesters tetrahydrofurans
Substituents	imidazole ribonucleoside sulfuric acid monoester carbonyl group carboxylic acid aromatic heteromonocyclic compound monosaccharide alpha-amino acid or derivatives carboxylic acid derivative saccharide organic oxide imidazole alkyl sulfate organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound acetamide azole 1,2-diol n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol organic sulfuric acid or derivatives azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester organooxygen compound

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