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ONTOLOGY REPORT - ANNOTATIONS


Term:methyl spongoate
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Accession:CHEBI:68388 term browser browse the term
Definition:A steroid ester that is methyl (5alpha)-cholest-1-en-21-oate substituted by an oxo group at position 3. Isolated from Hainan soft coral Dendronephthya studeri, it exhibits antitumour activity.
Synonyms:exact_synonym: methyl (5alpha)-3-oxocholest-1-en-21-oate
 related_synonym: Formula=C28H44O3;   InChI=1S/C28H44O3/c1-18(2)7-6-8-22(26(30)31-5)24-12-11-23-21-10-9-19-17-20(29)13-15-27(19,3)25(21)14-16-28(23,24)4/h13,15,18-19,21-25H,6-12,14,16-17H2,1-5H3/t19-,21-,22+,23-,24+,25-,27-,28-/m0/s1;   InChIKey=LTTLIRHGLXHJJP-CNMDJWEVSA-N;   SMILES=[H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@H](CCCC(C)C)C(=O)OC)[C@@]4(C)CC[C@]3([H])[C@@]1(C)C=CC(=O)C2;   cholest-1-en-3-on-20(R)-oic acid methyl ester
 xref: PMID:21192715 "Europe PMC";   Reaxys:11040719 "Reaxys"


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  CHEBI ontology 19679
    role 19623
      biological role 19621
        biochemical role 19147
          metabolite 19115
            marine metabolite 5066
              coral metabolite 0
                methyl spongoate 0
Path 2
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  CHEBI ontology 19679
    subatomic particle 19675
      composite particle 19675
        hadron 19675
          baryon 19675
            nucleon 19675
              atomic nucleus 19675
                atom 19675
                  main group element atom 19555
                    p-block element atom 19555
                      carbon group element atom 19438
                        carbon atom 19430
                          organic molecular entity 19430
                            organic group 18351
                              organic divalent group 18340
                                organodiyl group 18340
                                  carbonyl group 18225
                                    carbonyl compound 18225
                                      ketone 15788
                                        oxo steroid 9261
                                          3-oxo steroid 8785
                                            3-oxo-Delta(1) steroid 5085
                                              methyl spongoate 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.