DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:15:45 UTC
Update Date	2025-03-21 18:34:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00099888
Frequency	27.5
Structure
Chemical Formula	C₁₇H₂₂N₂O₉
Molecular Mass	398.1325
SMILES	O=C(O)CCC(NC(=O)c1ccc(NC2C(O)OC(CO)C2O)cc1)C(=O)O
InChI Key	NPGNQRRYJYNVFG-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	glutamic acid and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hemiacetals hippuric acids and derivatives hydrocarbon derivatives monosaccharides n-acyl-alpha amino acids organic oxides organopnictogen compounds oxacyclic compounds phenylalkylamines primary alcohols secondary alcohols secondary alkylarylamines secondary carboxylic acid amides tetrahydrofurans
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid benzoyl monosaccharide benzamide saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid tetrahydrofuran hippuric acid or derivatives benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

Showing information for DMID00099888