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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: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 0
    role 0
      biological role 0
        inhibitor 0
          collagen cross-linking inhibitor 0
            beta-aminopropionitrile hemifumarate 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  ammonium 0
                                    ammonium ion derivative 0
                                      primary ammonium ion 0
                                        beta-ammoniopropionitrile 0
                                          beta-aminopropionitrile hemifumarate 0
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