DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:01 UTC
Update Date	2025-03-25 00:50:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180847
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₁N₃O₅
Molecular Mass	383.1481
SMILES	O=C(O)CCC(NC(=O)c1ccc(N2CCc3ncccc3C2)cc1)C(=O)O
InChI Key	KINARBNBOJKCEW-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 heteropolycyclic compounds
Alternative Parents	2-halopyridines alpha amino acids amino acids aminobenzamides aniline and substituted anilines aralkylamines azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines dicarboxylic acids and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives hydroxypyridines n-acyl-alpha amino acids naphthyridines organic oxides organopnictogen compounds polyhalopyridines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid polyhalopyridine benzoyl aralkylamine benzamide organic oxide diazanaphthalene aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound 2-halopyridine dialkylarylamine aminobenzoic acid or derivatives tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives naphthyridine azacycle n-acyl-alpha-amino acid hippuric acid or derivatives aniline or substituted anilines heteroaromatic compound hydroxypyridine benzoic acid or derivatives glutamic acid or derivatives carboxamide group aminobenzamide secondary carboxylic acid amide pyridine organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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