DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:21 UTC
Update Date	2025-03-25 00:53:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202035
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₈N₄O₄S
Molecular Mass	348.1831
SMILES	CSCCC(NC(=O)C(CO)NC(=O)C(N)CC(C)C)C(N)=O
InChI Key	CZQOPJIHPVZCQP-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 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 alcohols primary carboxylic acid amides secondary carboxylic acid amides serine and derivatives 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 primary alcohol n-acyl-alpha amino acid or derivatives alcohol 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 serine or derivatives organooxygen compound

Showing information for DMID02202035