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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:brassicasterol
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Accession:CHEBI:3168 term browser browse the term
Definition:An 3beta-sterol that is (22E)-ergosta-5,22-diene substituted by a hydroxy group at position 3beta. It is a phytosterol found in marine algae, fish, and rapeseed oil.
Synonyms:exact_synonym: (22E)-ergosta-5,22-dien-3beta-ol
 related_synonym: (22E,24R)-24-methylcholesta-5,22-dien-3beta-ol;   (3beta,22E)-ergosta-5,22-dien-3-ol;   24(R)-Methylcholesta-5,22E-dien-3beta-ol;   24-methyl cholest-5,22-dien-3beta-ol;   Brassicasterin;   Ergosta-5,22(E)-dien-3beta-ol;   Formula=C28H46O;   InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1;   InChIKey=OILXMJHPFNGGTO-ZAUYPBDWSA-N;   SMILES=[C@@]12([C@]3([C@@]([C@@]4(C(C[C@@H](O)CC4)=CC3)C)(CC[C@@]1([C@@]([C@@H](/C=C/[C@@H](C(C)C)C)C)(CC2)[H])C)[H])[H])[H];   ergosta-5,22E-dien-3beta-ol
 xref: CAS:474-67-9;   FooDB:FDB012496;   HMDB:HMDB0011181;   KEGG:C08813;   KNApSAcK:C00003646;   LIPID_MAPS_instance:LMST01030098;   MetaCyc:CPD-4161;   PMID:11319028;   PMID:12162789;   PMID:15489546;   PMID:21585343;   PMID:29397797;   PMID:30259993;   PMID:30390455;   PMID:30853340;   PMID:30857717;   PMID:31255261;   PMID:31374906;   Wikipedia:Brassicasterol


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Term Annotations click to browse term
  CHEBI ontology 19908
    role 19883
      application 19717
        indicator 8764
          biomarker 6559
            brassicasterol 0
              brassicasterol 3-beta-D-glucoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19908
    subatomic particle 19906
      composite particle 19906
        hadron 19906
          baryon 19906
            nucleon 19906
              atomic nucleus 19906
                atom 19906
                  main group element atom 19853
                    p-block element atom 19853
                      carbon group element atom 19799
                        carbon atom 19794
                          organic molecular entity 19794
                            organic molecule 19751
                              organic cyclic compound 19559
                                organic polycyclic compound 17267
                                  steroid 14704
                                    hydroxy steroid 14448
                                      3-hydroxy steroid 12781
                                        3beta-hydroxy steroid 2535
                                          3beta-hydroxy-Delta(5)-steroid 2366
                                            brassicasterol 0
                                              brassicasterol 3-beta-D-glucoside 0
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