DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:26 UTC
Update Date	2025-03-25 00:51:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188634
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₁N₅O₇
Molecular Mass	359.1441
SMILES	CC(N)C(=O)NC(Cc1cn(C2OC(CO)C(O)C2O)nn1)C(=O)O
InChI Key	VTUBALIBMVJFTI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans triazole ribonucleosides and ribonucleotides triazoles
Substituents	n-ribosyl-1,2,3-triazole triazole carbonyl group carboxylic acid aromatic heteromonocyclic compound monosaccharide alpha-amino acid or derivatives 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 alpha-amino acid amide azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound carboxamide group alpha-dipeptide oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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