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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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.

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Accession:CHEBI:50169 term browser browse the term
Definition:A 3-hydroxy-5alpha-pregnan-20-one in which the hydroxy group at position 3 has alpha-configuration. It is a metabolite of the sex hormone progesterone and used for the treatment of postpartum depression in women.
Synonyms:related_synonym: (3alpha,5alpha)-3-hydroxypregnan-20-one;   3alpha,5alpha-THP;   3alpha,5alpha-tetrahydroprogesterone;   3alpha-OH DHP;   3alpha-hydroxy-5alpha-dihydroprogesterone;   3alpha-hydroxy-5alpha-pregnan-20-one;   5alpha-pregnan-3alpha-ol-20-one;   Formula=C21H34O2;   InChI=1S/C21H34O2/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/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1;   InChIKey=AURFZBICLPNKBZ-SYBPFIFISA-N;   SAGE-547;   SGE-102;   SMILES=[H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])(C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2;   Zulresso;   allopregnan-3alpha-ol-20-one;   allopregnanolone;   allotetrahydroprogesterone;   brexanolona;   brexanolonum
 alt_id: CHEBI:32924;   CHEBI:34347
 xref: Beilstein:3211363;   CAS:516-54-1;   DrugBank:DB11859;   FooDB:FDB022630;   HMDB:HMDB0001449;   KEGG:C13712;   KEGG:D11149;   LINCS:LSM-19998;   LIPID_MAPS_instance:LMST02030130;   PMID:10625505;   PMID:11739473;   PMID:19290593;   PMID:28370307;   PMID:28619476;   PMID:28666923;   PMID:28779545;   PMID:29453777;   PMID:29636114;   PMID:30177236;   PMID:30362283;   PMID:30481569;   PMID:30701996;   PMID:9501247;   Wikipedia:Allopregnanolone

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  CHEBI ontology 19841
    role 19792
      biological role 19792
        biophysical role 12655
          membrane transport modulator 12452
            GABA modulator 4657
              brexanolone 0
Path 2
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  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19732
                    p-block element atom 19732
                      carbon group element atom 19636
                        carbon atom 19625
                          organic molecular entity 19625
                            organic group 18537
                              organic divalent group 18528
                                organodiyl group 18528
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      ketone 16189
                                        oxo steroid 9287
                                          20-oxo steroid 7261
                                            3-hydroxypregnan-20-one 30
                                              3-hydroxy-5alpha-pregnan-20-one 0
                                                brexanolone 0
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