DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:09 UTC
Update Date	2025-03-25 00:46:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156156
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₃N₃O₇S₂
Molecular Mass	385.0977
SMILES	CSCCC(NC(=O)CCC(N)C(=O)O)C(=O)NCCS(=O)(=O)O
InChI Key	BJXLIQRSUVMCKS-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	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids dialkylthioethers fatty acids and conjugates glutamine and derivatives hydrocarbon derivatives methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds organosulfonic acids secondary carboxylic acid amides sulfenyl compounds sulfonyls
Substituents	fatty acyl aliphatic acyclic compound organosulfonic acid or derivatives carbonyl group carboxylic acid glutamine or derivatives organosulfonic acid fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives thioether methionine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02156156