DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:02:05 UTC
Update Date	2025-03-21 18:07:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00067108
Frequency	45.4
Structure
Chemical Formula	C₉H₁₇NO₅S
Molecular Mass	251.0827
SMILES	CSCCC(NCCC(O)C(=O)O)C(=O)O
InChI Key	ZGAFWWICVVSTOY-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	methionine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids alpha hydroxy acids and derivatives amino acids carbonyl compounds carboxylic acids dialkylamines dialkylthioethers dicarboxylic acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives hydroxy fatty acids monosaccharides organic oxides organopnictogen compounds secondary alcohols short-chain hydroxy acids and derivatives sulfenyl compounds thia fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid amino acid gamma amino acid or derivatives alpha-hydroxy acid monosaccharide fatty acid organosulfur compound saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid alcohol secondary aliphatic amine sulfenyl compound dialkylthioether hydroxy acid secondary amine thia fatty acid organic oxygen compound thioether methionine or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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