CHEBI:43043 - hexadecane-1-sulfonic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name hexadecane-1-sulfonic acid
ChEBI ID CHEBI:43043
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:32912, CHEBI:43039
Supplier Information
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Formula C16H34O3S
Net Charge 0
Average Mass 306.50536
Monoisotopic Mass 306.22287
InChI InChI=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)
InChIKey SSILHZFTFWOUJR-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCCS(O)(=O)=O
ChEBI Ontology
Outgoing hexadecane-1-sulfonic acid (CHEBI:43043) is a alkanesulfonic acid (CHEBI:47901)
hexadecane-1-sulfonic acid (CHEBI:43043) is conjugate acid of hexadecane-1-sulfonate (CHEBI:32913)
Incoming hexadecane-1-sulfonyl fluoride (CHEBI:43275) has functional parent hexadecane-1-sulfonic acid (CHEBI:43043)
hexadecane-1-sulfonate (CHEBI:32913) is conjugate base of hexadecane-1-sulfonic acid (CHEBI:43043)
IUPAC Name
hexadecane-1-sulfonic acid
Synonyms Sources
1-hexadecanesulfonic acid ChemIDplus
1-HEXADECANOSULFONIC ACID PDBeChem
cetylsulfonic acid ChemIDplus
hexadecane-1-sulphonic acid ChemIDplus
Manual Xrefs Databases
DB02776 DrugBank
HDS PDBeChem
View more database links
Registry Numbers Types Sources
1789439 Beilstein Registry Number Beilstein
6140-88-1 CAS Registry Number ChemIDplus
Last Modified
13 September 2007