DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:35 UTC
Update Date	2025-03-25 00:45:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152489
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₇N₃O₅
Molecular Mass	307.1168
SMILES	N=CNC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	CREDCECBSXEXTC-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 amphetamines and derivatives aspartic acid and derivatives benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives formamidines hydrocarbon derivatives imines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid imine fatty amide alpha-amino acid or derivatives amidine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide formamidine secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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