<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">1477</id>
  <title>T3D1473</title>
  <common-name>Zinc trifluoromethanesulfonate</common-name>
  <description>Zinc trifluoromethanesulfonate is a solid exogenous compound with the formula C2F6O6S2Zn and an average molecular weight of 363.55 g/mol. Zinc trifluoromethanesulfonate belongs to the organosulfonic acids and derivatives, a subclass of organic sulfonic acids and derivatives within the organic compounds. It is commonly used as a Lewis acid catalyst. One recorded protein target for this compound is Superoxide dismutase [Cu-Zn] (SOD1); unbalanced levels of copper and zinc binding to Cu,Zn-superoxide dismutase has been linked to amyotrophic lateral sclerosis (ALS).</description>
  <cas>54010-75-2</cas>
  <pubchem-id>104671</pubchem-id>
  <chemical-formula>C2F6O6S2Zn</chemical-formula>
  <weight>361.833190</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Oral (L49) ; inhalation (L49) ;  dermal (L49)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Anaemia results from the excessive absorption of zinc suppressing copper and iron absorption, most likely through competitive binding of intestinal mucosal cells. Unbalanced levels of copper and zinc binding to Cu,Zn-superoxide dismutase has been linked to amyotrophic lateral sclerosis (ALS). Stomach acid dissolves metallic zinc to give corrosive zinc chloride, which can cause damage to the stomach lining. Metal fume fever is thought to be an immune response to inhaled zinc. (L48, L49, A49)</mechanism-of-toxicity>
  <metabolism>Zinc can enter the body through the lungs, skin, and gastrointestinal tract. Intestinal absorption of zinc is controlled by zinc carrier protein CRIP. Zinc also binds to metallothioneins, which help prevent absorption of excess zinc. Zinc is widely distributed and found in all tissues and tissues fluids, concentrating in the liver, gastrointestinal tract, kidney, skin, lung, brain, heart, and pancreas. In the bloodstream zinc is found bound to carbonic anhydrase in erythrocytes, as well as bound to albumin, _2-macroglobulin, and amino acids in the the plasma. Albumin and amino acid bound zinc can diffuse across tissue membranes. Zinc is excreted in the urine and faeces. (L49)</metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Zinc trifluoromethanesulfonate is commonly used as a Lewis acid catalyst. (L539)</use-source>
  <min-risk-level>Intermediate Oral: 0.3 mg/kg/day (L134) 
Chronic Oral: 0.3 mg/kg/day (L134)</min-risk-level>
  <health-effects>Chronic exposure to zinc causes anemia, atazia, lethargy, and decreases the level of good cholesterol in the body. It is also believed to cause pancreatic and reproductive damage. (L49)</health-effects>
  <symptoms>Ingestion of large doses of zinc causes stomach cramps, nausea, and vomiting. Acute inhalation of large amounts of zinc causes metal fume fever, which is characterized by chills, fever, headache, weakness, dryness of the nose and throat, chest pain, and coughing. Dermal contact with zinc results in skin irritation. (L49)</symptoms>
  <treatment>Zinc poisoning is treated symptomatically, often by administering fluids such as water or milk, or with gastric lavage. (L49)</treatment>
  <created-at type="dateTime">2009-06-19T21:58:50Z</created-at>
  <updated-at type="dateTime">2026-04-05T22:30:15Z</updated-at>
  <interacting-proteins>Metallothionein-2 (P02795) Metallothionein-1G (P13640) Metallothionein-1H (P80294) Metallothionein-3 (P25713) Metallothionein-1F (P04733) Metallothionein-1E (P04732) Metallothionein-1X (P80297) Metallothionein-1A (P04731) Metallothionein-1B (P07438) Metallothionein-1M (Q8N339) Metallothionein-4 (P47944) Metallothionein-1L (Q93083) Cysteine-rich protein 1 (P50238) Cysteine-rich protein 2 (P52943) Cysteine-rich protein 3 (Q6Q6R5) Serum albumin (P02768) (L49, A49, L92)</interacting-proteins>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Zinc trifluoromethanesulfonate</stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins>Metallothionein-2 (P02795) 
Metallothionein-1G (P13640) 
Metallothionein-1H (P80294) 
Metallothionein-3 (P25713) 
Metallothionein-1F (P04733) 
Metallothionein-1E (P04732) 
Metallothionein-1X (P80297) 
Metallothionein-1A (P04731) 
Metallothionein-1B (P07438) 
Metallothionein-1M (Q8N339) 
Metallothionein-4 (P47944) 
Metallothionein-1L (Q930839) 
Cysteine-rich protein 1 (P50238)
Cysteine-rich protein 2 (P52943)
Cysteine-rich protein 3 (Q6Q6R5)
Serum albumin (P02768) 
(L49, A49, L92)</transporting-proteins>
  <moldb-smiles>[Zn++].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F</moldb-smiles>
  <moldb-formula>C2F6O6S2Zn</moldb-formula>
  <moldb-inchi>InChI=1S/2CHF3O3S.Zn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2</moldb-inchi>
  <moldb-inchikey>CITILBVTAYEWKR-UHFFFAOYSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal">363.547</moldb-average-mass>
  <moldb-mono-mass type="decimal">361.83319492</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>94493</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM001257</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00088677</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>57.199999999999996</moldb-polar-surface-area>
  <moldb-refractivity>15.860199999999999</moldb-refractivity>
  <moldb-polarizability>7.451100441863231</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic>-3.4301211369712297</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>3.13</moldb-alogps-logp>
  <moldb-alogps-logs>-3.31</moldb-alogps-logs>
  <moldb-alogps-solubility>1.78e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Organic sulfonic acids and derivatives</klass>
  <subklass>Organosulfonic acids and derivatives</subklass>
  <paper-count type="integer">39</paper-count>
  <sync-id>CED0016211</sync-id>
  <structure-inchikey>CITILBVTAYEWKR-UHFFFAOYSA-L</structure-inchikey>
  <structure-fingerprint>200000002000000000000000000000000000000000000000000000000000000000020000000000000000000008000000000000000000000000000000000000000000000000000020200000000000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000040000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000800000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>500440008102820080000240010820000000140001252010203000408220004c44020010119000000100450800c0000004200200028c12010000443900a04000c5110400100004030090104012e202000800c48051201e3240040462400200000c100003004c020840000000d09c004034c080120001c0061188004042100002004010080c5c02080c040200080c0088191400124c401402030008000042408040c101000000400000000840016c611002c00002810108001010021008400202a00000a404900202008000801411028100010010030071000f00000008000000900000141000800000000001101220800012041000400000d100101052000002</structure-pattern-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:00:06Z</structure-indexed-at>
</compound>
