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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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:beta-aminopropionitrile hemifumarate
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Accession:CHEBI:91084 term browser browse the term
Definition:A fumarate salt prepared from beta-aminopropionitrile by reaction of one molecule of fumaric acid for every two molecules of beta-aminopropionitrile.
Synonyms:exact_synonym: bis(2-cyanoethan-1-aminium) (2E)-but-2-enedioate
 related_synonym: 2-cyanoethylamine hemifumarate;   BAPN fumarate;   Bis(3-aminopropionitrile) fumarate;   Di-beta-aminopropionitrile fumarate;   Formula=C10H16N4O4;   InChI=1S/C4H4O4.2C3H6N2/c5-3(6)1-2-4(7)8;2*4-2-1-3-5/h1-2H,(H,5,6)(H,7,8);2*1-2,4H2/b2-1+;;;   InChIKey=NYMXYZMHOZAPHQ-SEPHDYHBSA-N;   SMILES=C(\\C(O)=O)=C/C(O)=O.C(CC#N)N.C(CC#N)N;   beta-Aminopropionitrile, fumarate
 xref: CAS:2079-89-2;   PMID:2264079;   PMID:2934220;   PMID:3231897;   PMID:3460538;   PMID:3619271;   PMID:3629446;   PMID:6151163;   PMID:6253968;   PMID:6544776;   PMID:6617824;   PMID:6705893;   PMID:6959999;   PMID:7297098;   PMID:7372099;   PMID:8590090;   Reaxys:3573532;   Wikipedia:Aminopropionitrile

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  CHEBI ontology 19801
    role 19747
      biological role 19746
        inhibitor 18247
          collagen cross-linking inhibitor 5
            beta-aminopropionitrile hemifumarate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19801
    subatomic particle 19797
      composite particle 19797
        hadron 19797
          baryon 19797
            nucleon 19797
              atomic nucleus 19797
                atom 19797
                  main group element atom 19684
                    main group molecular entity 19684
                      s-block molecular entity 19428
                        hydrogen molecular entity 19419
                          hydrides 18460
                            inorganic hydride 17428
                              pnictogen hydride 17400
                                nitrogen hydride 17241
                                  ammonium 8225
                                    ammonium ion derivative 8221
                                      primary ammonium ion 0
                                        beta-ammoniopropionitrile 0
                                          beta-aminopropionitrile hemifumarate 0
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