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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:sodium citrate dihydrate
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Accession:CHEBI:32142 term browser browse the term
Definition:The dihydrate of trisodium citrate.
Synonyms:exact_synonym: trisodium 2-hydroxypropane-1,2,3-tricarboxylate--water (1/2)
 related_synonym: 2-hydroxy-1,2,3-propanetricarboxylic acid trisodium salt dihydrate;   Citronensaeure,Trinatrium-Salz-Dihydrat;   Formula=C6H5O7.3Na.2H2O;   Formula=C6H9Na3O9;   InChI=1S/C6H8O7.3Na.2H2O/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);;;;2*1H2/q;3*+1;;/p-3;   InChIKey=NLJMYIDDQXHKNR-UHFFFAOYSA-K;   SMILES=O.O.[Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O;   Sodium citrate;   Sodium citrate hydrate
 xref: Beilstein:3920956;   CAS:6132-04-3;   KEGG:D01781


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  CHEBI ontology 19810
    role 19758
      chemical role 19283
        greenhouse gas 10445
          water 625
            hydrate 602
              sodium citrate dihydrate 0
Path 2
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  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic ion 8333
                              organic anion 3020
                                carboxylic acid anion 2391
                                  tricarboxylic acid anion 139
                                    citrate anion 79
                                      citrate(3-) 79
                                        sodium citrate 1
                                          sodium citrate dihydrate 0
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