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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:21-hydroxypregnenolone
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Accession:CHEBI:28043 term browser browse the term
Definition:A hydroxypregnenolone that is pregnenolone which has been substituted by a hydroxy group at position 21.
Synonyms:exact_synonym: 3beta,21-dihydroxypregn-5-en-20-one
 related_synonym: (3beta)-3,21-dihydroxypregn-5-en-20-one;   Formula=C21H32O3;   InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1;   InChIKey=MOIQRAOBRXUWGN-WPWXJNKXSA-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(=O)CO
 alt_id: CHEBI:1299;   CHEBI:19802
 xref: Beilstein:2627411;   CAS:1164-98-3;   KEGG:C05485


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19792
    chemical entity 19791
      molecular entity 19787
        polyatomic entity 19697
          heteroatomic molecular entity 19617
            hydroxides 19091
              organic hydroxy compound 18658
                hydroxy steroid 12379
                  21-hydroxy steroid 4669
                    21-hydroxypregnenolone 0
                      21-hydroxypregnenolone disulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19792
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19571
                        carbon atom 19560
                          organic molecular entity 19560
                            organic group 18508
                              organic divalent group 18501
                                organodiyl group 18501
                                  carbonyl group 18404
                                    carbonyl compound 18404
                                      ketone 16152
                                        oxyketone 8633
                                          alpha-oxyketone 8633
                                            alpha-hydroxy ketone 8633
                                              primary alpha-hydroxy ketone 7518
                                                21-hydroxypregnenolone 0
                                                  21-hydroxypregnenolone disulfate 0
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