DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:11 UTC
Update Date	2025-03-25 00:49:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02176633
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₇N₃O₇
Molecular Mass	433.1849
SMILES	CC(=O)N1CCCC1C(=O)NC(CCC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)O
InChI Key	GAHUZGZSFSBLKT-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 heteromonocyclic compounds
Alternative Parents	acetamides alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives hydrocarbon derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives aromatic heteromonocyclic compound 3-phenylpropanoic-acid fatty amide n-acylpyrrolidine alpha-amino acid or derivatives organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound acetamide amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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