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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:cathasterone
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Accession:CHEBI:23057 term browser browse the term
Definition:A phytosteroid that has formula C28H48O3.
Synonyms:exact_synonym: (22S)-3beta,22-dihydroxy-5alpha-campestan-6-one
 related_synonym: 6-oxo-campestan-3beta,22R-diol;   Formula=C28H48O3;   InChI=1S/C28H48O3/c1-16(2)17(3)13-25(30)18(4)21-7-8-22-20-15-26(31)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h16-25,29-30H,7-15H2,1-6H3/t17-,18+,19+,20+,21-,22+,23+,24-,25+,27-,28-/m1/s1;   InChIKey=JSVPGVHCEQDJCZ-VGEHDTSWSA-N;   SMILES=[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)C[C@@H](C)C(C)C
 xref: Beilstein:7416517;   KEGG:C15790;   KNApSAcK:C00007275;   LIPID_MAPS_instance:LMST01030132


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5081
    chemical entity 5081
      atom 5072
        nonmetal atom 5036
          carbon atom 4956
            organic molecular entity 4956
              lipid 4431
                steroid 107
                  C28-steroid 0
                    cathasterone 0
                      6-deoxycathasterone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5081
    subatomic particle 5072
      composite particle 5072
        hadron 5072
          baryon 5072
            nucleon 5072
              atomic nucleus 5072
                atom 5072
                  main group element atom 5042
                    p-block element atom 5039
                      carbon group element atom 4957
                        carbon atom 4956
                          organic molecular entity 4956
                            organic molecule 4903
                              organic cyclic compound 4841
                                organic polycyclic compound 167
                                  steroid 107
                                    hydroxy steroid 75
                                      22-hydroxy steroid 0
                                        (22S)-22-hydroxy C28-steroid 0
                                          cathasterone 0
                                            6-deoxycathasterone 0
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