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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:pregnenolone 16alpha-carbonitrile
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Accession:CHEBI:35591 term browser browse the term
Definition:An aliphatic nitrile that has formula C22H31NO2.
Synonyms:exact_synonym: 3beta-hydroxy-20-oxopregn-5-ene-16alpha-carbonitrile
 related_synonym: 3beta-hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile;   Formula=C22H31NO2;   InChI=1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1;   InChIKey=VSBHRRMYCDQLJF-ZDNYCOCVSA-N;   PCN;   SMILES=[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H]([C@@H](C[C@@]21[H])C#N)C(C)=O;   pregnenolone carbonitrile
 xref: Beilstein:2706221;   CAS:1434-54-4;   KEGG:C15637;   LINCS:LSM-2870
 xref_mesh: MESH:D011285


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  CHEBI ontology 0
    chemical entity 0
      group 0
        pseudohalo group 0
          cyano group 0
            nitrile 0
              aliphatic nitrile 0
                pregnenolone 16alpha-carbonitrile 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
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic polycyclic compound 0
                                  steroid 0
                                    hydroxy steroid 0
                                      3-hydroxy steroid 0
                                        3beta-hydroxy steroid 0
                                          3beta-hydroxy-Delta(5)-steroid 0
                                            pregnenolone 0
                                              pregnenolone 16alpha-carbonitrile 0
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