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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:lissoclibadin 1
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Accession:CHEBI:66579 term browser browse the term
Definition:An organosulfur heterocyclic compound isolated from the ascidian Lissoclinum badium. It has been shown to exhibit cytotoxicity against human cancer cell lines.
Synonyms:exact_synonym: 2,2',2''-[1,2,9,10,14,15-hexamethoxy-3,8,13-tris(methylsulfanyl)tribenzo[c,f,i][1,2,5,8]tetrathiecine-4,7,12-triyl]tris(N,N-dimethylethanamine)
 related_synonym: Formula=C39H57N3O6S7;   InChI=1S/C39H57N3O6S7/c1-40(2)19-16-22-31(49-13)25(43-7)28(46-10)37-34(22)52-38-29(47-11)26(44-8)32(50-14)23(17-20-41(3)4)35(38)54-55-36-24(18-21-42(5)6)33(51-15)27(45-9)30(48-12)39(36)53-37/h16-21H2,1-15H3;   InChIKey=SYYGQWWWVKVZAF-UHFFFAOYSA-N;   SMILES=COc1c(OC)c2sc3c(CCN(C)C)c(SC)c(OC)c(OC)c3sc3c(OC)c(OC)c(SC)c(CCN(C)C)c3ssc2c(CCN(C)C)c1SC
 xref: PMID:17268087;   Reaxys:9892027


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19786
    role 19732
      application 19423
        pharmaceutical 19321
          drug 19321
            antineoplastic agent 17310
              lissoclibadin 1 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19786
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19675
                    main group molecular entity 19675
                      s-block molecular entity 19443
                        hydrogen molecular entity 19439
                          hydrides 18763
                            inorganic hydride 17484
                              pnictogen hydride 17461
                                nitrogen hydride 17315
                                  azane 17021
                                    ammonia 17020
                                      organic amino compound 17019
                                        tertiary amino compound 8677
                                          lissoclibadin 1 0
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