<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:29:59 UTC</creation_date>
  <update_date>2026-05-14 19:03:02 UTC</update_date>
  <accession/>
  <common_name>TRISODIUM CITRATE</common_name>
  <class>SmallMolecule</class>
  <description>TRISODIUM CITRATE (C6H5Na3O7) is a compound with an average molecular weight of 258.07 g/mol. TRISODIUM CITRATE belongs to the tricarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. It acts as an inhibitor of the protein target Carbonic anhydrase 4 (CA4).

The compound serves numerous industrial roles, functioning as a chelating agent, pH regulating agent, flavouring and nutrient, surfactant (surface active agent), pharmaceutical, fragrance, preservative, emulsifier, thickening agent, dye, and stabilizer (PMC11339148, PMC11596608, PMC12656528, PMC8708775). It is also utilized as a processing aid not otherwise specified (PMC11339148, PMC11596608, PMC12656528, PMC8708775). In both biological and industrial contexts, it acts as a reducing agent (PMC9962709, PMC11339148, PMC8240981), and it serves as a biological anticoagulant (PMC5020735, PMC9773523).

TRISODIUM CITRATE is found in or released from 42 recorded sources. These include healthcare, pharmaceuticals, and veterinary products such as irrigating solutions; food, food processing, and cookware, including food preservation, fermentation processes for beer, and the preparation of vinegar, wort, and wine or sparkling wine; household cleaning and consumer products, such as bleaching agents, perfumes within detergents and soaps, cigar cigarettes, other smoking requisites, and non electric simulated smoking devices; building and construction materials, including floors, ceilings, tents or canopies, and sunshades awnings or outside screens; and electrical and electronic equipment, including antennas, communication cables or conductors, adjustable resistors, auxiliary devices, and conductors or conductive bodies characterised by the conductive materials. Recorded exposure routes include oral, rectal, intravenous, intramuscular, intraocular, ophthalmic, irrigation, and extracorporeal.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Sodium citrate</synonym>
    <synonym>Sodium citrate anhydrous</synonym>
    <synonym>Sodium citrate dihydrate</synonym>
  </synonyms>
  <chemical_formula>C6H5Na3O7</chemical_formula>
  <average_molecular_weight>258.068</average_molecular_weight>
  <monisotopic_moleculate_weight>257.97283534</monisotopic_moleculate_weight>
  <iupac_name>trisodium 2-hydroxypropane-1,2,3-tricarboxylate</iupac_name>
  <traditional_iupac>trisodium citrate</traditional_iupac>
  <cas_registry_number>68-04-2</cas_registry_number>
  <smiles>[Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O</smiles>
  <inchi>InChI=1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3</inchi>
  <inchikey>HRXKRNGNAMMEHJ-UHFFFAOYSA-K</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Carboxylic acids and derivatives</class>
    <sub_class>Tricarboxylic acids and derivatives</sub_class>
    <direct_parent>Tricarboxylic acids and derivatives</direct_parent>
    <alternate_parents>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Carboxylic acid salts</alternative_parent>
      <alternative_parent>Carboxylic acids</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organic sodium salts</alternative_parent>
      <alternative_parent>Tertiary alcohols</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Carboxylic acid salt</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic alkali metal salt</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organic sodium salt</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Tertiary alcohol</substituent>
      <substituent>Tricarboxylic acid or derivatives</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>organic sodium salt</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>-1.3</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.55</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.54</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>7.37e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>-1.3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>3.05</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-4.2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>trisodium 2-hydroxypropane-1,2,3-tricarboxylate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>258.068</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>257.97283534</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H5Na3O7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>HRXKRNGNAMMEHJ-UHFFFAOYSA-K</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>140.62</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>68.14</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>14.23</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>-3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72270802a0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB09154</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>6224</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>5989</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
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      <target_id>BE0000535</target_id>
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  </targets>
</compound>
