DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:53 UTC
Update Date	2025-03-25 00:51:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02187378
Frequency	0.5
Structure
Chemical Formula	C₁₉H₃₄N₄O₇S₃
Molecular Mass	526.159
SMILES	CC(C)C(NC(=O)C(CSC(=S)NCCCCS(C)=O)NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	MOKISNUFDYMRAI-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	oligopeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids cysteine and derivatives dicarboxylic acids and derivatives dithiocarbamic acid esters glutamine and derivatives hydrocarbon derivatives methyl-branched fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds sulfinyl compounds sulfoxides valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound organic oxide sulfinyl compound organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives methyl-branched fatty acid sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide dithiocarbamic acid ester organic oxygen compound cysteine or derivatives sulfoxide dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

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