DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:53 UTC
Update Date	2025-03-25 00:59:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237592
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉N₃O₆
Molecular Mass	337.1274
SMILES	Nc1ccc(C(=O)NCCC(=O)NC(CCC(=O)O)C(=O)O)cc1
InChI Key	HLPSOSYOZAZVRH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids benzamides benzoyl derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamic acid and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid benzoyl alpha-amino acid or derivatives carboxylic acid derivative benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid benzoic acid or derivatives glutamic acid or derivatives carboxamide group beta amino acid or derivatives aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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