DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:19:32 UTC
Update Date	2025-03-21 18:36:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00109218
Frequency	24.5
Structure
Chemical Formula	C₈H₁₆N₂O₄S₂
Molecular Mass	268.0551
SMILES	NC(CCC(=O)O)CSSCC(N)C(=O)O
InChI Key	MODUUDARQBHJKQ-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	gamma amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids cysteine and derivatives dialkyldisulfides dicarboxylic acids and derivatives fatty acids and conjugates hydrocarbon derivatives monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds sulfenyl compounds
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid sulfenyl compound gamma amino acid or derivatives fatty acid alpha-amino acid or derivatives organosulfur compound dialkyldisulfide organic oxide organic oxygen compound organic disulfide cysteine or derivatives organonitrogen compound alpha-amino acid dicarboxylic acid or derivatives organopnictogen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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