DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:33 UTC
Update Date	2025-03-25 00:51:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184265
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₅N₃O₁₁
Molecular Mass	471.1489
SMILES	NC(CCC(=O)NCC(=O)Nc1ccccc1OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O
InChI Key	PHZOTXZYEBIQLA-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	acetals alpha amino acid amides alpha amino acids anilides beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives glutamine and derivatives hydrocarbon derivatives monoalkylamines monosaccharides n-acyl amines n-acyl-alpha amino acids n-arylamides o-glucuronides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety carboxylic acid glutamine or derivatives o-glucuronide monosaccharide alpha-amino acid or derivatives pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide acetal organonitrogen compound alpha-amino acid oxane organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide n-acyl-alpha-amino acid n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine phenoxy compound fatty acyl carbonyl group glucuronic acid or derivatives aromatic heteromonocyclic compound fatty amide n-arylamide organic oxide organopnictogen compound pyran carboxylic acid or derivatives hydroxy acid carboxamide group n-acyl-amine anilide oxacycle organic oxygen compound pyran secondary alcohol benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID02184265