DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:11:45 UTC
Update Date	2025-03-21 18:32:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00090140
Frequency	31.3
Structure
Chemical Formula	C₁₂H₁₇N₅O₉
Molecular Mass	375.1026
SMILES	Nc1c(C(=O)NC(CC(=O)O)C(=O)O)nnn1C1OC(CO)C(O)C1O
InChI Key	TXRZOBBLHHUNFU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	triazole ribonucleosides and ribonucleotides
Subclass	triazole ribonucleosides and ribonucleotides
Direct Parent	triazole ribonucleosides and ribonucleotides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-heteroaryl carboxamides 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 secondary alcohols secondary carboxylic acid amides tetrahydrofurans triazole carboxylic acids and derivatives vinylogous amides
Substituents	n-ribosyl-1,2,3-triazole triazole carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative 2-heteroaryl carboxamide saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol 1,2,3-triazole organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound 1,2,3-triazole carboxylic acid or derivatives 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 DMID00090140