<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">681</id>
  <title>T3D0680</title>
  <common-name>Salcomine</common-name>
  <description>Salcomine is an exogenous solid with the formula C16H16CoN2O2 and an average molecular weight of 327.24 g/mol. Salcomine belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It is a coordination complex between cobalt and a salen ligand that can be used as a catalyst for the oxidation of 2,6-disubstituted phenols by dioxygen gas.

The compound interacts with various protein targets through its cobalt component. Cobalt inhibits heme synthesis by preventing the synthesis of 5-aminolaevulinate via the inhibition of 5-aminolevulinate synthase, specifically the mitochondrial erythroid-specific (ALAS2) and non-specific (ALAS1) forms. It further inhibits carbonic anhydrases, including Carbonic anhydrase 1 (CA1), Carbonic anhydrase 2 (CA2), and Carbonic anhydrase 4 (CA4). Cobalt also inhibits DNA repair by interacting with zinc finger DNA repair proteins, such as Poly [ADP-ribose] polymerase 1 (PARP1). 

Additionally, cobalt blocks high-voltage-activated calcium channels, which may impair neurotransmission; targets include Voltage-dependent L-type calcium channel subunit alpha-1C (CACNA1C), alpha-1D (CACNA1D), alpha-1S (CACNA1S), beta-1 (CACNB1), and 10 other proteins. Immunosensitization occurs when cobalt interacts with specific IgE antibodies and specific IgA antibodies, including Immunoglobulin heavy constant alpha 1 (IGHA1) and Immunoglobulin heavy constant alpha 2 (IGHA2). Finally, radioactive cobalt is capable of damaging lipids, RNA, and DNA through ionizing events.</description>
  <cas>14167-18-1</cas>
  <pubchem-id>11012797</pubchem-id>
  <chemical-formula>C16H16CoN2O2</chemical-formula>
  <weight>327.054380</weight>
  <appearance>Red crystals.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density></density>
  <solubility></solubility>
  <specific-gravity></specific-gravity>
  <flash-point></flash-point>
  <vapour-pressure></vapour-pressure>
  <route-of-exposure>Inhalation  (L29) ; oral (L29) ; dermal (L29)</route-of-exposure>
  <target></target>
  <mechanism-of-toxicity>Cobalt is believed to exhibit its toxicity through a oxidant-based and free radical-based processes. It produces oxygen radicals and may be oxidized to ionic cobalt, causing increased lipid peroxidation, DNA damage, and inducing certain enzymes that lead to cell apoptosis. Cobalt has also been shown to block inorganic calcium channels, possibly impairing neurotransmission. Cobalt can also chelate lipoic acids, impairing oxidation of pyruvate or fatty acids. In addition, cobalt may inhibit DNA repair by interacting with zinc finger DNA repair proteins, and has also been shown to inhibit heme synthesis and glucose metabolism. Cobalt may activate specific helper T-lymphocyte cells and interact directly with immunologic proteins, such as antibodies (IgA and IgE) or Fc receptors, resulting in immunosensitization. (L29)</mechanism-of-toxicity>
  <metabolism>Cobalt is absorbed though the lungs, gastrointestinal tract, and skin. Since it is a component of the vitamin B12 (cyanocobalamin), it is distributed to most tissues of the body. It is transported in the blood, often bound to albumin, with the highest levels being found in the liver and kidney. Cobalt is excreted mainly in the urine and faeces. (L29)</metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>2B, possibly carcinogenic to humans. (L135)</carcinogenicity>
  <use-source>Salcomine can be used as a catalyst for the oxidation of 2,6-disubstituted phenols by dioxygen gas. (L499)</use-source>
  <min-risk-level>Chronic Inhalation: 0.0001 mg/m3 (L134) 
Intermediate Oral: 0.01 mg/kg/day (L134) </min-risk-level>
  <health-effects>Exposure to high amount of cobalt can cause heart, lung, kidney, and liver damage. Skin contact is known to result in contact dermatitis. Cobalt may also have mutagenic and carcinogenic effects. (L29, L30)</health-effects>
  <symptoms>Cobalt inhalation can cause asthma-like breathing problems. Skin contact is known to result in contact dermatitis, which is characterized by irritation and rashes. Ingesting large amounts of cobalt may cause nausea and vomiting. (L2090)</symptoms>
  <treatment>Treatment of cobalt poisoning is symptomatic. (L29)</treatment>
  <created-at type="dateTime">2009-03-22T21:48:07Z</created-at>
  <updated-at type="dateTime">2026-04-03T14:31:57Z</updated-at>
  <interacting-proteins>Serum albumin (P02768) (A39)</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>C003955</ctd-id>
  <stitch-id>Salcomine</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>Serum albumin (P02768) 
(A39)</transporting-proteins>
  <moldb-smiles>[Co].O=C1C=CC=C\C1=C\NCCN\C=C1\C=CC=CC1=O</moldb-smiles>
  <moldb-formula>C16H16CoN2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C16H16N2O2.Co/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;/h1-8,11-12,17-18H,9-10H2;/b13-11-,14-12-;</moldb-inchi>
  <moldb-inchikey>FIONSUNUNBIGCA-MJBGKLQRSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">327.2436</moldb-average-mass>
  <moldb-mono-mass type="decimal">327.05437796</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>21160236</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>CHEM000607</chemdb-id>
  <dsstox-id>DTXSID1065718</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00024593</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>58.2</moldb-polar-surface-area>
  <moldb-refractivity>84.52099999999999</moldb-refractivity>
  <moldb-polarizability>29.361924916484263</moldb-polarizability>
  <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>4.781708387075765</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer">9</paper-count>
  <sync-id>CED0024261</sync-id>
  <structure-inchikey>FIONSUNUNBIGCA-MJBGKLQRSA-N</structure-inchikey>
  <structure-fingerprint>80040000000800000000200000000000000000000000000040000080000000000000020000000000000000000000000000000000000000000000000000001001000000000000000000000000020001000000200000000000010000000000000000000000000000200000000000000000000000000000000000000000000040000000000000400000000000080000000000000000000000200000000000000000000000000000000081000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000040000000000020000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>401000000102044000000900410820000000040080052000003500400200000c400200500080000000004102008000000420002c408c30010020643000a00000c6110c00020000000092100000620000000401804000003240040422000049000c300014004002002000040054140001200080508101c0041118000002510002004000080ce0800808020200086c0008111c0012444014020000080000408000004300200810c00000000840016c25100ac00002884108401000030000c00210008000040400001201c00000040102800000000002004000090002000800000000100c000008000000080400401a200000100010804200060000020050000003</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFQAAAIABGyCAAAAAAQgAKAAAAAMC
BgAoAAAAAwQGAGgAAAADAwEGAGgAAAADAwEGAGgAAAADAwEGAGgAAAADAwEG
ACgAAAADBAYAaAAAAAMDAQcAaAAAAAMCAQYAYAAAAAICBgBgAAAAAgIHAGgA
AAADAgEGAGgAAAADAwEGACgAAAADBAYAaAAAAAMDAQYAaAAAAAMDAQYAaAAA
AAMDAQYAaAAAAAMDAQYAKAAAAAMECAAoAAAAAwILAQIoAgIDIAMEKAIEBSAF
BigCBgckAwcIKgICAgIJCAkkAwkKAAoLAAsMAAwNJAMNDioCAgIMEw4PJAMP
ECgCEBEgERIoAhITIBMUKAIHAiATDiBCAgAAAAYCBwYFBAMGDxAREhMOFwQA
AAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T03:59:46Z</structure-indexed-at>
</compound>
