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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    role 19751
      application 19498
        indicator 8691
          biomarker 6473
            brassicasterol 0
              brassicasterol 3-beta-D-glucoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic molecule 19549
                              organic cyclic compound 19343
                                organic polycyclic compound 16570
                                  steroid 13347
                                    hydroxy steroid 12976
                                      3-hydroxy steroid 10368
                                        sterol 438
                                          phytosterols 68
                                            brassicasterol 0
                                              brassicasterol 3-beta-D-glucoside 0
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