<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">1161</id>
  <title>T3D1157</title>
  <common-name>D-Gluconic acid Mn(II) salt</common-name>
  <description>D-Gluconic acid Mn(II) salt is a dietary supplement.</description>
  <cas>6485-39-8</cas>
  <pubchem-id>21226518</pubchem-id>
  <chemical-formula>C6H12O7</chemical-formula>
  <weight>196.058300</weight>
  <appearance>White powder.</appearance>
  <melting-point>113 - 118°C</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 (L228) ; inhalation (L228) </route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Manganese is a cellular toxicant that can impair transport systems, enzyme activities, and receptor functions. It primarily targets the central nervous system, particularily the globus pallidus of the basal ganglia. It is believed that the manganese ion, Mn(II), enhances the autoxidation or turnover of various intracellular catecholamines, leading to increased production of free radicals, reactive oxygen species, and other cytotoxic metabolites, along with a depletion of cellular antioxidant defense mechanisms, leading to oxidative damage and selective destruction of dopaminergic neurons. In addition to dopamine, manganese is thought to perturbations other neurotransmitters, such as GABA and glutamate. In order to produce oxidative damage, manganese must first overwhelm the antioxidant enzyme manganese superoxide dismutase. The neurotoxicity of Mn(II) has also been linked to its ability to substitute for Ca(II) under physiological conditions. It can enter mitochondria via the calcium uniporter and inhibit mitochondrial oxidative phosphorylation. It may also inhibit the efflux of Ca(II), which can result in a loss of mitochondrial membrane integrity. Mn(II) has been shown to inhibit mitochondrial aconitase activity to a significant level, altering amino acid metabolism and cellular iron homeostasis. (L228)</mechanism-of-toxicity>
  <metabolism>Manganese is absorbed mainly via ingestion, but can also be inhaled. It binds to alpha-2-macroglobulin, albumin, or transferrin in the plasma and is distributed to the brain and all other mammalian tissues, though it tends to accumulate more in the liver, pancreas, and kidney. Manganese is capable of existing in a number of oxidation states and is believed to undergo changes in oxidation state within the body. Manganese oxidation state can influence tissue toxicokinetic behavior, and possibly toxicity. Manganese is excreted primarily in the faeces. (L228)</metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source nil="true"/>
  <min-risk-level>Chronic Inhalation: 0.0003 mg/m3 (L134)</min-risk-level>
  <health-effects>Manganese mainly affects the nervous system and may cause behavioral changes and other nervous system effects, which include movements that may become slow and clumsy. This combination of symptoms when sufficiently severe is referred to as “manganism”. (L228)</health-effects>
  <symptoms>Manganese mainly affects the nervous system and may cause behavioral changes and other nervous system effects, which include movements that may become slow and clumsy. This combination of symptoms when sufficiently severe is referred to as “manganism”. (L228)</symptoms>
  <treatment nil="true"/>
  <created-at type="dateTime">2009-06-19T21:58:22Z</created-at>
  <updated-at type="dateTime">2026-05-14T19:07:19Z</updated-at>
  <interacting-proteins>Alpha-2-macroglobulin (P01023) Serum albumin (P02768) Serotransferrin (P02787) Superoxide dismutase [Mn], mitochondrial (P04179) (L228) </interacting-proteins>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C00257</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>33198</chebi-id>
  <biocyc-id>GLUCONATE</biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Manganese gluconate</stitch-id>
  <drugbank-id>DB11141</drugbank-id>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins>Alpha-2-macroglobulin (P01023) 
Serum albumin (P02768) 
Serotransferrin (P02787) 
(L228) </transporting-proteins>
  <moldb-smiles>OCC(O)C(O)C(O)C(O)C(O)=O</moldb-smiles>
  <moldb-formula>C6H12O7</moldb-formula>
  <moldb-inchi>InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)</moldb-inchi>
  <moldb-inchikey>RGHNJXZEOKUKBD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">196.1553</moldb-average-mass>
  <moldb-mono-mass type="decimal">196.058302738</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>-3.4</logp>
  <hmdb-id>HMDB37198</hmdb-id>
  <chembl-id nil="true"/>
  <chemspider-id>10661289</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 nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM000988</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>manganese(2+) bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)</iupac>
  <moldb-polar-surface-area>138.45</moldb-polar-surface-area>
  <moldb-refractivity>38.270999999999994</moldb-refractivity>
  <moldb-polarizability>16.825475885169475</moldb-polarizability>
  <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count>
  <moldb-acceptor-count>7</moldb-acceptor-count>
  <moldb-donor-count>6</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.3882055743218547</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.974220927705365</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>-2.57</moldb-alogps-logp>
  <moldb-alogps-logs>-0.09</moldb-alogps-logs>
  <moldb-alogps-solubility>1.59e+02 g/l</moldb-alogps-solubility>
</compound>
