DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:19 UTC
Update Date	2025-03-25 00:53:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02201963
Frequency	0.5
Structure
Chemical Formula	C₂₃H₄₄N₈O₆S
Molecular Mass	560.3105
SMILES	CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(N)CC(N)=O)C(N)=O
InChI Key	NLPATNLZLXULDY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids asparagine and derivatives carbonyl compounds carboxylic acids and derivatives dialkylthioethers hydrocarbon derivatives leucine and derivatives methionine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides primary carboxylic acid amides secondary carboxylic acid amides sulfenyl compounds
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives n-acyl-alpha amino acid or derivatives polypeptide sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound thioether methionine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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