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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:3beta-hydroxy-5alpha-pregnan-20-one hemisuccinate
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Accession:CHEBI:62043 term browser browse the term
Definition:A sterol ester that is the O-succinoyl derivative of 3beta-hydroxy-5alpha-pregnan-20-one.
Synonyms:exact_synonym: 4-oxo-4-{[(3beta,5alpha)-20-oxopregnan-3-yl]oxy}butanoic acid
 related_synonym: 3beta-hydroxy-5alpha-pregnan-20-one hydrogen succinate;   3beta-hydroxy-5alpha-pregnan-20-one succinate;   Formula=C25H38O5;   InChI=1S/C25H38O5/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3/h16-21H,4-14H2,1-3H3,(H,27,28)/t16-,17-,18-,19+,20-,21-,24-,25+/m0/s1;   InChIKey=UVTGFMKBPVLATL-DSOJQRAMSA-N;   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](C2)OC(=O)CCC(O)=O;   succinic acid mono-(20-oxo-5alpha-pregnan-3beta-yl ester)
 xref: PMID:8496956;   Reaxys:3225990


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  CHEBI ontology 19875
    role 19825
      application 19494
        pharmaceutical 19364
          drug 19364
            anti-ulcer drug 777
              succinic acid 220
                succinate ester 111
                  hemisuccinate 107
                    3beta-hydroxy-5alpha-pregnan-20-one hemisuccinate 0
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  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            organic group 18569
                              organic divalent group 18560
                                organodiyl group 18560
                                  carbonyl group 18468
                                    carbonyl compound 18468
                                      dicarboxylic acids and O-substituted derivatives 10300
                                        dicarboxylic acid 10292
                                          alpha,omega-dicarboxylic acid 2784
                                            succinic acid 220
                                              succinate ester 111
                                                hemisuccinate 107
                                                  3beta-hydroxy-5alpha-pregnan-20-one hemisuccinate 0
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