EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:58683 - 3-sulfonatolactate(2−)

ChEBI IDCHEBI:58683
ChEBI Name3-sulfonatolactate(2−)
Stars
ASCII Name3-sulfonatolactate(2-)
DefinitionAn organosulfonate oxoanion arising from deprotonation of the sulfo and carboxy groups of 3-sulfolactic acid.
Last Modified7 April 2017
DownloadsMolfile
FormulaC3H4O6S
Net Charge-2
Average Mass168.126
Monoisotopic Mass167.97396
SMILESO=C([O-])C(O)CS(=O)(=O)[O-]
InChIInChI=1S/C3H6O6S/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/p-2
InChIKeyCQQGIWJSICOUON-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
3-sulfonatolactate(2−) (CHEBI:58683) is a alkanesulfonate oxoanion (CHEBI:134249)
3-sulfonatolactate(2−) (CHEBI:58683) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
3-sulfonatolactate(2−) (CHEBI:58683) is conjugate base of 3-sulfolactic acid (CHEBI:38023)
Incoming Relation(s)
(S)-3-sulfonatolactate(2−) (CHEBI:61289) is a 3-sulfonatolactate(2−) (CHEBI:58683)
3-sulfolactic acid (CHEBI:38023) is conjugate acid of 3-sulfonatolactate(2−) (CHEBI:58683)
IUPAC Name 
2-hydroxy-3-sulfonatopropanoate