DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:00 UTC
Update Date	2025-03-25 00:50:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02178534
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₂N₄O₆
Molecular Mass	436.2322
SMILES	Cc1cccc(C)c1NC(=O)CNCCCCC(NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	CYUIYPAXLAVFIC-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 amino acids amino fatty acids anilides carbocyclic fatty acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives glutamine and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides m-xylenes
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives amino acid or derivatives amino acid fatty amide fatty acid n-arylamide alpha-amino acid or derivatives xylene organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid n-acyl-alpha amino acid or derivatives secondary aliphatic amine alpha-amino acid amide n-acyl-alpha-amino acid m-xylene secondary amine carboxamide group amino fatty acid n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide anilide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amine

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