DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:39 UTC
Update Date	2025-03-25 00:48:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168497
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₃N₃O₈
Molecular Mass	361.1485
SMILES	CC(C)C(NC(=O)CC(NC(=O)C(N)CCC(=O)O)C(=O)O)C(=O)O
InChI Key	STDDOQLXLHWSDE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids asparagine and derivatives carbonyl compounds carboxylic acids dipeptides glutamic acid and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides tricarboxylic acids and derivatives valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives glutamic acid or derivatives carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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