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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:16alpha,17alpha-dihydroxypregnenolone
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Accession:CHEBI:137049 term browser browse the term
Definition:A pregnane sterol that is pregnenolone substituted by two hydroxy groups at positions 16 and 17 (16alpha,17alpha-stereoisomer).
Synonyms:exact_synonym: 3beta,16alpha-trihydroxypregn-5-en-20-one
 related_synonym: (beta,16alpha)-3,16,17-trihydroxypregn-5-en-20-one;   16alpha,17-dihydroxypregnenolone;   3beta,16alpha,17alpha-trihydroxypregn-5-en-20-one;   Formula=C21H32O4;   InChI=1S/C21H32O4/c1-12(22)21(25)18(24)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23-25H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1;   InChIKey=JUTWIBFBXPFWGP-XXHSLLPRSA-N;   SMILES=C1[C@@]2([C@]3(CC[C@]4(C)[C@]([C@@H](C[C@]4([C@@]3(CC=C2C[C@H](C1)O)[H])[H])O)(C(=O)C)O)[H])C
 xref: PMID:27339894;   Reaxys:3218556


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19874
    chemical entity 19872
      molecular entity 19872
        polyatomic entity 19824
          heteroatomic molecular entity 19781
            hydroxides 19341
              organic hydroxy compound 18951
                alpha-hydroxy ketone 8915
                  tertiary alpha-hydroxy ketone 8616
                    16alpha,17alpha-dihydroxypregnenolone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    p-block element atom 19811
                      carbon group element atom 19751
                        carbon atom 19748
                          organic molecular entity 19748
                            organic molecule 19700
                              organic cyclic compound 19490
                                organic polycyclic compound 17286
                                  steroid 14717
                                    hydroxy steroid 14466
                                      3-hydroxy steroid 12808
                                        3beta-hydroxy steroid 2540
                                          3beta-hydroxy-Delta(5)-steroid 2366
                                            pregnenolone 2072
                                              hydroxypregnenolone 1
                                                16alpha,17alpha-dihydroxypregnenolone 0
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