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ONTOLOGY REPORT - ANNOTATIONS


Term:lejimalide A
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Accession:CHEBI:77757 term browser browse the term
Definition:A macrolide that is isolated from the marine tunicate Eudistoma cf. rigida and exhibits potent in vitro cytotoxic activity.
Synonyms:exact_synonym: N-{(2E,4E)-5-[(2S,3S,4E,6E,8S,11Z,13E,16S,17E,19E,21R,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxooxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dien-1-yl}-N(2)-formyl-L-serinamide
 related_synonym: Formula=C40H58N2O7;   InChI=1S/C40H58N2O7/c1-29-13-11-17-35(47-7)16-10-9-15-33(5)39(34(6)23-21-32(4)26-41-40(46)37(27-43)42-28-44)49-38(45)24-22-30(2)19-20-31(3)25-36(48-8)18-12-14-29/h9-10,12-16,19-25,28,30,33,35-37,39,43H,11,17-18,26-27H2,1-8H3,(H,41,46)(H,42,44)/b14-12+,15-9+,16-10+,20-19+,24-22+,29-13-,31-25+,32-21+,34-23+/t30-,33+,35-,36+,37+,39+/m1/s1;   InChIKey=FAVMTJDTJCBNEZ-MDFWTKNVSA-N;   SMILES=CO[C@H]1CC\\C=C(\\C)/C=C/C[C@H](OC)\\C=C(/C)\\C=C\\[C@@H](C)\\C=C\\C(=O)O[C@@H]([C@@H](C)\\C=C\\C=C\\1)C(\\C)=C\\C=C(/C)CNC(=O)[C@H](CO)NC=O
 xref: CAS:117582-91-9 "ChemIDplus";   Reaxys:10410807 "Reaxys"


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  CHEBI ontology 19764
    role 19711
      application 19361
        pharmaceutical 19230
          drug 19230
            antineoplastic agent 16893
              lejimalide A 0
Path 2
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  CHEBI ontology 19764
    subatomic particle 19762
      composite particle 19762
        hadron 19762
          baryon 19762
            nucleon 19762
              atomic nucleus 19762
                atom 19762
                  main group element atom 19646
                    p-block element atom 19646
                      carbon group element atom 19540
                        carbon atom 19529
                          organic molecular entity 19529
                            organic group 18432
                              organic divalent group 18423
                                organodiyl group 18423
                                  carbonyl group 18311
                                    carbonyl compound 18311
                                      carboxylic acid 17976
                                        amino acid 12448
                                          alpha-amino acid 7653
                                            L-alpha-amino acid 7317
                                              serine family amino acid 1777
                                                L-serine 1
                                                  lejimalide A 0
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