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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:ophiobolin A
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Accession:CHEBI:7777 term browser browse the term
Definition:A sesterterpenoid that is ophiobolane with a hydroxy group at position 3, oxo groups at positions 5 and 25, double bonds at positions 7-8 and 19-20, and an oxygen link between positions 14 and 18.
Synonyms:exact_synonym: (18R)-3-hydroxy-5-oxo-14,18-epoxyophiobola-7,19-dien-25-al
 related_synonym: (18R)-14,18-epoxy-3-hydroxy-5-oxoophiobola-7,19-dien-25-al;   Formula=C25H36O4;   InChI=1S/C25H36O4/c1-15(2)10-18-11-16(3)25(29-18)9-8-23(4)12-19-22(20(27)13-24(19,5)28)17(14-26)6-7-21(23)25/h6,10,14,16,18-19,21-22,28H,7-9,11-13H2,1-5H3/b17-6-/t16-,18-,19-,21+,22+,23+,24+,25-/m0/s1;   InChIKey=MWYYLZRWWNBROW-BDZRSQQBSA-N;   SMILES=[H][C@@]1(C[C@H](C)[C@]2(CC[C@]3(C)C[C@@]4([H])[C@]([H])(C(=O)C[C@@]4(C)O)\\C(C=O)=C/C[C@@]23[H])O1)C=C(C)C;   cochliobolin;   cochliobolin A;   ophiobolin
 xref: Beilstein:48792;   CAS:4611-05-6;   KEGG:C09145;   KNApSAcK:C00003460;   LIPID_MAPS_instance:LMPR0105050001
 xref_mesh: MESH:C040764


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ophiobolin A term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb1a ATP binding cassette subfamily B member 1A multiple interactions ISO ophiobolin A inhibits the reaction [ABCB1 protein results in increased uptake of Digoxin] CTD PMID:16904803 NCBI chr 4:25,357,467...25,529,941
Ensembl chr 4:25,158,362...25,442,709
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Path 1
Term Annotations click to browse term
  CHEBI ontology 19812
    chemical entity 19812
      atom 19811
        nonmetal atom 19698
          carbon atom 19620
            organic molecular entity 19620
              olefinic compound 15500
                enal 2890
                  ophiobolin A 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic group 18728
                              organic divalent group 18719
                                organodiyl group 18719
                                  carbonyl group 18667
                                    carbonyl compound 18667
                                      carboxylic acid 18364
                                        carboacyl group 17482
                                          univalent carboacyl group 17482
                                            formyl group 8786
                                              aldehyde 8786
                                                alpha,beta-unsaturated aldehyde 2890
                                                  enal 2890
                                                    ophiobolin A 1
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