DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:39 UTC
Update Date	2025-03-21 18:01:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00035286
Frequency	101.2
Structure
Chemical Formula	C₁₃H₁₈N₄O₉
Molecular Mass	374.1074
SMILES	Nc1c(C(=O)NC(CC(=O)O)C(=O)O)cnn1C1OC(CO)C(O)C1O
InChI Key	VAOSHQWSBLFPEM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrazole ribonucleosides and ribonucleotides
Subclass	pyrazole ribonucleosides and ribonucleotides
Direct Parent	pyrazole ribonucleosides and ribonucleotides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives monosaccharides n-acyl-alpha amino acids organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines pyrazoles secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative pyrazole 1-ribofuranosylpyrazole saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

Showing information for DMID00035286