DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:03:43 UTC
Update Date	2025-03-21 18:28:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00071048
Frequency	42.3
Structure
Chemical Formula	C₁₇H₂₀N₂O₈
Molecular Mass	380.122
SMILES	O=C(O)CCC(NC(=O)C(CC(=O)O)NC(=O)Cc1ccccc1)C(=O)O
InChI Key	UUTUGDVWKYBAIO-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 homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids aspartic acid and derivatives carbonyl compounds carboxylic acids glutamic acid and derivatives hydrocarbon derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylacetamides secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound phenylacetamide n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid glutamic acid or derivatives carboxamide group n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID00071048