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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:propylene 1,2-bis(dithiocarbamic acid)
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Accession:CHEBI:84294 term browser browse the term
Definition:A member of the class or dithiocarbamic acids resulting from the formal addition of a molecule of carbon disulfide to each of the nitrogens of propylenediamine.
Synonyms:exact_synonym: propane-1,2-diyldicarbamodithioic acid
 related_synonym: Formula=C5H10N2S4;   InChI=1S/C5H10N2S4/c1-3(7-5(10)11)2-6-4(8)9/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);   InChIKey=IJIHYLHFNAWUGR-UHFFFAOYSA-N;   SMILES=CC(CNC(S)=S)NC(S)=S;   propylenebis(dithiocarbamic) acid
 xref: CAS:35449-52-6;   Reaxys:2360676
 cyclic_relationship: is_conjugate_acid_of CHEBI:84295


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19840
    role 19790
      chemical role 19308
        ligand 5790
          propylenediamine 0
            propylene 1,2-bis(dithiocarbamic acid) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19840
    subatomic particle 19838
      composite particle 19838
        hadron 19838
          baryon 19838
            nucleon 19838
              atomic nucleus 19838
                atom 19838
                  main group element atom 19730
                    main group molecular entity 19730
                      s-block molecular entity 19481
                        hydrogen molecular entity 19473
                          hydrides 18743
                            inorganic hydride 17482
                              pnictogen hydride 17455
                                nitrogen hydride 17300
                                  azane 17019
                                    ammonia 17018
                                      organic amino compound 17017
                                        polyamine 8237
                                          diamine 8165
                                            propylenediamine 0
                                              propylene 1,2-bis(dithiocarbamic acid) 0
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