DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:56 UTC
Update Date	2025-03-21 18:38:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00122225
Frequency	21.2
Structure
Chemical Formula	C₂₂H₃₂N₄O₆
Molecular Mass	448.2322
SMILES	CC(C)C(N)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	HKBWABBVLLFQJQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds peptides phenylalanine and derivatives phenylpropanoic acids primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides valine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid fatty amide n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine primary alcohol organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives alcohol polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid valine or derivatives carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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