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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
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Accession:CHEBI:16581 term browser browse the term
Definition:A 20-oxo steroid that is pregn-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 20.
Synonyms:related_synonym: (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE;   3beta-Hydroxypregn-5-en-20-one;   5-Pregnen-3beta-ol-20-one;   Formula=C21H32O2;   InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1;   InChIKey=ORNBQBCIOKFOEO-QGVNFLHTSA-N;   SMILES=[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O
 alt_id: CHEBI:14881;   CHEBI:26241;   CHEBI:45027;   CHEBI:8388;   CHEBI:86573
 xref: Beilstein:2059026;   CAS:145-13-1;   DrugBank:DB02789;   HMDB:HMDB0000253;   KEGG:C01953;   KEGG:D00143;   LINCS:LSM-5550;   LIPID_MAPS_instance:LMST02030088
 xref_mesh: MESH:D011284
 xref: PDBeChem:PLO;   PMID:23572091;   PMID:24385629;   Reaxys:2059026;   Wikipedia:Pregnenolone


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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19841
        chemical entity 19839
          atom 19839
            nonmetal atom 19777
              carbon atom 19733
                organic molecular entity 19733
                  lipid 17979
                    steroid 14693
                      C21-steroid 4429
                        pregnenolone 2074
                          11beta,17alpha,21-trihydroxypregnenolone 0
                          16,17-didehydropregnenolone + 0
                          17alpha,21-dihydroxypregnenolone 0
                          7-ketopregnenolone 0
                          7alpha-hydroxypregnenolone 0
                          7beta-hydroxypregnenolone 0
                          hydroxypregnenolone + 1
                          pregnenolone 16alpha-carbonitrile 2059
                          pregnenolone 3-beta-D-glucoside 0
                          pregnenolone sulfate 6
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19841
        subatomic particle 19839
          composite particle 19839
            hadron 19839
              baryon 19839
                nucleon 19839
                  atomic nucleus 19839
                    atom 19839
                      main group element atom 19789
                        p-block element atom 19789
                          carbon group element atom 19737
                            carbon atom 19733
                              organic molecular entity 19733
                                organic molecule 19686
                                  organic cyclic compound 19498
                                    organic polycyclic compound 17247
                                      steroid 14693
                                        hydroxy steroid 14439
                                          3-hydroxy steroid 12775
                                            3beta-hydroxy steroid 2535
                                              3beta-hydroxy-Delta(5)-steroid 2367
                                                pregnenolone 2074
                                                  11beta,17alpha,21-trihydroxypregnenolone 0
                                                  16,17-didehydropregnenolone + 0
                                                  17alpha,21-dihydroxypregnenolone 0
                                                  7-ketopregnenolone 0
                                                  7alpha-hydroxypregnenolone 0
                                                  7beta-hydroxypregnenolone 0
                                                  hydroxypregnenolone + 1
                                                  pregnenolone 16alpha-carbonitrile 2059
                                                  pregnenolone 3-beta-D-glucoside 0
                                                  pregnenolone sulfate 6
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