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CHEBI:51128 - acamprosate(1−)

ChEBI IDCHEBI:51128
ChEBI Nameacamprosate(1−)
Stars
ASCII Nameacamprosate(1-)
Last Modified7 April 2017
SubmitterInma Spiteri
DownloadsMolfile
FormulaC5H10NO4S
Net Charge-1
Average Mass180.205
Monoisotopic Mass180.03360
SMILESCC(=O)NCCCS(=O)(=O)[O-]
InChIInChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10)/p-1
InChIKeyAFCGFAGUEYAMAO-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
acamprosate(1−) (CHEBI:51128) is a alkanesulfonate oxoanion (CHEBI:134249)
Incoming Relation(s)
acamprosate calcium (CHEBI:51042) has part acamprosate(1−) (CHEBI:51128)
IUPAC Name 
3-acetamidopropane-1-sulfonate