DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:51 UTC
Update Date	2025-03-25 00:57:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226308
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₂N₄O₆
Molecular Mass	330.1539
SMILES	CC(O)C(NC(=O)C(CC(N)=O)NC(=O)C1CCCN1)C(=O)O
InChI Key	SWXSLPHTJVAWDF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids asparagine and derivatives azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkylamines heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid or derivatives amino acid heterocyclic fatty acid fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative beta-hydroxy acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid asparagine or derivatives pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid hydroxy acid secondary amine carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol hybrid peptide hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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