DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:22:14 UTC
Update Date	2025-03-21 18:37:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00115756
Frequency	22.7
Structure
Chemical Formula	C₁₃H₁₉N₅O₈
Molecular Mass	373.1234
SMILES	NC(=O)C(CC(=O)O)NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N
InChI Key	WTCXUFLEYXLUJL-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 amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines primary carboxylic acid amides secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid fatty amide 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 n-substituted-alpha-amino acid 1-ribosyl-imidazolecarboxamide oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound aspartic acid or derivatives secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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