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CHEBI:32913 - hexadecane-1-sulfonate

ChEBI IDCHEBI:32913
ChEBI Namehexadecane-1-sulfonate
Stars
Last Modified13 May 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC16H33O3S
Net Charge-1
Average Mass305.504
Monoisotopic Mass305.21559
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)[O-]
InChIInChI=1S/C16H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H,17,18,19)/p-1
InChIKeySSILHZFTFWOUJR-UHFFFAOYSA-M
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
hexadecane-1-sulfonate (CHEBI:32913) is a 1,1-diunsubstituted alkanesulfonate (CHEBI:62081)
hexadecane-1-sulfonate (CHEBI:32913) is conjugate base of hexadecane-1-sulfonic acid (CHEBI:43043)
Incoming Relation(s)
hexadecane-1-sulfonic acid (CHEBI:43043) is conjugate acid of hexadecane-1-sulfonate (CHEBI:32913)
IUPAC Name 
hexadecane-1-sulfonate
Synonym  Source
cetylsulfonateChEBI
Registry NumbersSources
Beilstein:3907310Beilstein
Gmelin:245901Gmelin