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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    chemical entity 5080
      group 5032
        pseudohalo group 7
          cyano group 7
            nitrile 7
              aliphatic nitrile 0
                pregnenolone 16alpha-carbonitrile 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            organic molecule 4874
                              organic cyclic compound 4812
                                organic polycyclic compound 167
                                  steroid 107
                                    hydroxy steroid 75
                                      3-hydroxy steroid 41
                                        3beta-hydroxy steroid 11
                                          3beta-hydroxy-Delta(5)-steroid 7
                                            pregnenolone 1
                                              pregnenolone 16alpha-carbonitrile 0
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