DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:28 UTC
Update Date	2025-03-21 18:38:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00118771
Frequency	22.0
Structure
Chemical Formula	C₁₈H₂₇N₇O₈
Molecular Mass	469.1921
SMILES	CC(O)C(N)C(=O)NC(C(=O)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(C)O
InChI Key	RAAHEXZURYJTMK-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 heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkylamines monosaccharides n-acyl amines n-acyl-alpha amino acids n-arylamides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purine nucleosides purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group fatty amide monosaccharide n-arylamide alpha-amino acid or derivatives imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid tetrahydrofuran purine nucleoside heteroaromatic compound carboxamide group n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine purine organic nitrogen compound organooxygen compound

Showing information for DMID00118771