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CHEBI:189341 - 2-Carboxy-1-methylthietanium

ChEBI IDCHEBI:189341
ChEBI Name2-Carboxy-1-methylthietanium
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC5H9O2S
Net Charge+1
Average Mass133.192
Monoisotopic Mass133.03178
SMILESC[S+]1CCC1C(=O)O
InChIInChI=1S/C5H8O2S/c1-8-3-2-4(8)5(6)7/h4H,2-3H2,1H3/p+1
InChIKeyDKJWVISHSHQYGH-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
2-Carboxy-1-methylthietanium (CHEBI:189341) is a organosulfur heterocyclic compound (CHEBI:38106)
2-Carboxy-1-methylthietanium (CHEBI:189341) is a saturated organic heteromonocyclic parent (CHEBI:36389)
IUPAC Name 
1-methylthietan-1-ium-2-carboxylic acid
Manual XrefsDatabases
21374387ChemSpider