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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:tigogenin
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Accession:CHEBI:9595 term browser browse the term
Definition:A widely used steroidal sapogenin isolated from several plant species and used for synthesizing steroid drugs.
Synonyms:related_synonym: (3-beta,5alpha,25R)-spirostan-3-ol;   (5alpha,25R)-spirostan-3beta-ol;   5-epi-sarsasapogenin;   Formula=C27H44O3;   InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1;   InChIKey=GMBQZIIUCVWOCD-MFRNJXNGSA-N;   SMILES=[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2
 xref: AGR:IND605692811;   AGR:IND606860518;   CAS:77-60-1;   Chemspider:10252448;   FooDB:FDB012684;   KEGG:C08914;   KNApSAcK:C00003593;   LIPID_MAPS_instance:LMST01080009;   PMID:10923841;   PMID:11529418;   PMID:23707570;   PMID:28345921;   PMID:28677770;   PMID:29233733;   PMID:30693503;   PMID:30855957;   PMID:32439406;   PMID:32443910;   PMID:32751592;   PMID:33130020;   PMID:4036620;   Reaxys:1293741



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    role 19870
      biological role 19868
        biochemical role 19579
          metabolite 19566
            eukaryotic metabolite 19390
              plant metabolite 18006
                tigogenin 0
                  tigogenin 3-O-beta-D-glucopyranoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    p-block element atom 19836
                      p-block molecular entity 19836
                        carbon group molecular entity 19776
                          organic molecular entity 19772
                            organic molecule 19725
                              organic cyclic compound 19517
                                organic polycyclic compound 17320
                                  sapogenin 537
                                    tigogenin 0
                                      tigogenin 3-O-beta-D-glucopyranoside 0
paths to the root