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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:paraminabeolide D
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Accession:CHEBI:67563 term browser browse the term
Definition:A withanolide that is 23,26-epoxyergosta-1,4-diene substituted by a hydroxy group at position 22 and oxo groups at positions 3 and 26. Isolated from a Formosan soft coral Paraminabea acronocephala, it has been found to inhibit the accumulation of the pro-inflammatory iNOS protein.
Synonyms:exact_synonym: (22S,23R,24S,25R)-22-hydroxy-23,26-epoxyergosta-1,4-diene-3,26-dione
 related_synonym: Formula=C28H40O4;   InChI=1S/C28H40O4/c1-15-16(2)26(31)32-25(15)24(30)17(3)21-8-9-22-20-7-6-18-14-19(29)10-12-27(18,4)23(20)11-13-28(21,22)5/h10,12,14-17,20-25,30H,6-9,11,13H2,1-5H3/t15-,16+,17-,20-,21+,22-,23-,24-,25+,27-,28+/m0/s1;   InChIKey=UISXVQNCBCKQHL-PPGQKZPJSA-N;   SMILES=C[C@H]([C@H](O)[C@@H]1OC(=O)[C@H](C)[C@@H]1C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
 xref: PMID:21425785;   Reaxys:21534303


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  CHEBI ontology 19761
    role 19711
      biological role 19711
        biochemical role 19301
          metabolite 19282
            marine metabolite 5170
              coral metabolite 0
                paraminabeolide D 0
Path 2
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  CHEBI ontology 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19569
                        carbon atom 19559
                          organic molecular entity 19559
                            organic group 18593
                              organic divalent group 18584
                                organodiyl group 18584
                                  carbonyl group 18499
                                    carbonyl compound 18499
                                      ketone 16824
                                        oxo steroid 9708
                                          3-oxo steroid 9269
                                            3-oxo-Delta(1) steroid 5119
                                              3-oxo-Delta(1),Delta(4)-steroid 5119
                                                paraminabeolide D 0
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