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CHEBI:133701 - 3-(3-sulfooxyphenyl)propanoate(2−)

ChEBI IDCHEBI:133701
ChEBI Name3-(3-sulfooxyphenyl)propanoate(2−)
Stars
ASCII Name3-(3-sulfooxyphenyl)propanoate(2-)
DefinitionA 3-(3-sulfooxyphenyl)propanoic acid anion obtained by deprotonation of the carboxy and sulfo groups of 3-(3-sulfooxyphenyl)propanoic acid.
Last Modified4 April 2018
SubmitterSteve
DownloadsMolfile
FormulaC9H8O6S
Net Charge-2
Average Mass244.224
Monoisotopic Mass244.00526
SMILESO=C([O-])CCc1cccc(OS(=O)(=O)[O-])c1
InChIInChI=1S/C9H10O6S/c10-9(11)5-4-7-2-1-3-8(6-7)15-16(12,13)14/h1-3,6H,4-5H2,(H,10,11)(H,12,13,14)/p-2
InChIKeyIQWLPDPKVFZEOK-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
3-(3-sulfooxyphenyl)propanoate(2−) (CHEBI:133701) is a 3-(3-sulfooxyphenyl)propanoic acid anion (CHEBI:133700)
3-(3-sulfooxyphenyl)propanoate(2−) (CHEBI:133701) is a monocarboxylic acid anion (CHEBI:35757)
3-(3-sulfooxyphenyl)propanoate(2−) (CHEBI:133701) is a phenyl sulfate oxoanion (CHEBI:140317)
3-(3-sulfooxyphenyl)propanoate(2−) (CHEBI:133701) is conjugate base of 3-(3-sulfooxyphenyl)propanoic acid (CHEBI:64414)
Incoming Relation(s)
3-(3-sulfooxyphenyl)propanoic acid (CHEBI:64414) is conjugate acid of 3-(3-sulfooxyphenyl)propanoate(2−) (CHEBI:133701)
Synonyms  Source
3-(3-sulfooxyphenyl)propanoate dianionChEBI
3-(3-sulfonatooxyphenyl)propanoateChEBI