DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:31 UTC
Update Date	2025-03-25 00:45:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02150016
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₀N₂O₇S₃
Molecular Mass	388.0433
SMILES	CC(NC(CSC(=S)NCCCCS(=O)(=O)O)C(=O)O)C(=O)O
InChI Key	PPQZHQUTEJNRJL-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	cysteine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alanine and derivatives alpha amino acids amino acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives dithiocarbamic acid esters hydrocarbon derivatives organic oxides organopnictogen compounds organosulfonic acids sulfenyl compounds sulfonyls
Substituents	aliphatic acyclic compound organosulfonic acid or derivatives carbonyl group carboxylic acid amino acid organosulfonic acid organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine sulfenyl compound secondary amine dithiocarbamic acid ester sulfonyl organic oxygen compound organic sulfonic acid or derivatives cysteine or derivatives dicarboxylic acid or derivatives alanine or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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