DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:38:01 UTC
Update Date	2025-03-21 17:57:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00010866
Frequency	430.1
Structure
Chemical Formula	C₁₃H₁₇N₃O₉
Molecular Mass	359.0965
SMILES	O=C(O)CC(NC(=O)c1cn(C2OC(CO)C(O)C2O)cn1)C(=O)O
InChI Key	LTJSWJSFTUJBRH-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	2-heteroaryl carboxamides alpha amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound monosaccharide alpha-amino acid or derivatives carboxylic acid derivative 2-heteroaryl carboxamide saccharide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidazole-4-carbonyl group primary alcohol organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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