DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:05 UTC
Update Date	2025-03-25 00:57:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226809
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₉NO₇S
Molecular Mass	297.0882
SMILES	CC(C)CC(NC(CCS(=O)(=O)O)C(=O)O)C(=O)O
InChI Key	ANUFSEMZMWHTOD-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	leucine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives methyl-branched fatty acids organic oxides organopnictogen compounds organosulfonic acids sulfonyls thia fatty acids
Substituents	fatty acyl aliphatic acyclic compound organosulfonic acid or derivatives carbonyl group carboxylic acid amino acid organosulfonic acid fatty acid organosulfur compound organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine methyl-branched fatty acid secondary amine branched fatty acid thia fatty acid sulfonyl organic oxygen compound organic sulfonic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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