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ONTOLOGY REPORT - ANNOTATIONS


Term:brexanolone
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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 19770
    role 19717
      biological role 19716
        biophysical role 12284
          membrane transport modulator 12064
            GABA modulator 4647
              brexanolone 0
Path 2
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  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19548
                        carbon atom 19537
                          organic molecular entity 19537
                            organic group 18465
                              organic divalent group 18458
                                organodiyl group 18458
                                  carbonyl group 18354
                                    carbonyl compound 18354
                                      ketone 15949
                                        oxo steroid 9288
                                          20-oxo steroid 7261
                                            3-hydroxypregnan-20-one 30
                                              3-hydroxy-5alpha-pregnan-20-one 0
                                                brexanolone 0
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