DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:09 UTC
Update Date	2025-03-25 00:50:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02178866
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₉NO₃S
Molecular Mass	303.1868
SMILES	CSCCC(NC(=O)C(CC(C)C)CC(C)C)C(=O)O
InChI Key	GXNGROCSTYLILM-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 branched fatty acids carbonyl compounds carboxylic acids dialkylthioethers hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds thia fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives sulfenyl compound n-acyl-alpha-amino acid dialkylthioether carboxamide group branched fatty acid n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether methionine or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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