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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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Term Annotations click to browse term
  CHEBI ontology 19932
    role 19904
      biological role 19902
        inhibitor 18960
          collagen cross-linking inhibitor 8
            beta-aminopropionitrile hemifumarate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19932
    subatomic particle 19930
      composite particle 19930
        hadron 19930
          baryon 19930
            nucleon 19930
              atomic nucleus 19930
                atom 19930
                  main group element atom 19876
                    main group molecular entity 19876
                      s-block molecular entity 19705
                        hydrogen molecular entity 19686
                          hydrides 19179
                            inorganic hydride 18191
                              pnictogen hydride 18181
                                nitrogen hydride 18092
                                  ammonium 8329
                                    ammonium ion derivative 8324
                                      primary ammonium ion 0
                                        beta-ammoniopropionitrile 0
                                          beta-aminopropionitrile hemifumarate 0
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