DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:20 UTC
Update Date	2025-03-25 00:53:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202006
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₅N₂O₅S+
Molecular Mass	321.1479
SMILES	CSCCC(C(=O)NC(CCC(=O)O)C(=O)O)[N+](C)(C)C
InChI Key	HFUOQJISLUQQGT-UHFFFAOYSA-O
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 amines carbonyl compounds carboxylic acids dialkylthioethers dicarboxylic acids and derivatives fatty acids and conjugates glutamic acid and derivatives hydrocarbon derivatives methionine and derivatives n-acyl amines n-acyl-alpha amino acids organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt n-acyl-alpha amino acid or derivatives sulfenyl compound alpha-amino acid amide tetraalkylammonium salt n-acyl-alpha-amino acid dialkylthioether quaternary ammonium salt glutamic acid or derivatives carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound thioether methionine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

Showing information for DMID02202006