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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:(+)-jasplakinolide Z1
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Accession:CHEBI:68274 term browser browse the term
Definition:A depsipeptide isolated from Jaspis splendens.
Synonyms:exact_synonym: N-[(2S,4E,6R,8S)-8-hydroxy-2,4,6-trimethylnon-4-enoyl]-L-alanyl-2-bromo-N-[(1R)-2-carboxy-1-(4-hydroxyphenyl)ethyl]-Nalpha-methyl-D-tryptophanamide
 related_synonym: Formula=C36H47BrN4O7;   InChI=1S/C36H47BrN4O7/c1-20(15-21(2)17-23(4)42)16-22(3)34(46)38-24(5)36(48)41(6)31(18-28-27-9-7-8-10-29(27)39-33(28)37)35(47)40-30(19-32(44)45)25-11-13-26(43)14-12-25/h7-15,21-24,30-31,39,42-43H,16-19H2,1-6H3,(H,38,46)(H,40,47)(H,44,45)/b20-15+/t21-,22-,23-,24-,30+,31+/m0/s1;   InChIKey=PPXQSUWEWPAOGM-DHKPLNAMSA-N;   SMILES=C[C@H](O)C[C@@H](C)\\C=C(/C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1c(Br)[nH]c2ccccc12)C(=O)N[C@H](CC(O)=O)c1ccc(O)cc1
 xref: PMID:21241058;   Reaxys:21404708


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Term Annotations click to browse term
  CHEBI ontology 19775
    role 19722
      application 19411
        pharmaceutical 19309
          drug 19309
            antineoplastic agent 17312
              (+)-jasplakinolide Z1 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19775
    subatomic particle 19774
      composite particle 19774
        hadron 19774
          baryon 19774
            nucleon 19774
              atomic nucleus 19774
                atom 19774
                  main group element atom 19665
                    p-block element atom 19665
                      carbon group element atom 19584
                        carbon atom 19574
                          organic molecular entity 19574
                            organic group 18622
                              organic divalent group 18613
                                organodiyl group 18613
                                  carbonyl group 18530
                                    carbonyl compound 18530
                                      carboxylic acid 18207
                                        carboacyl group 17440
                                          univalent carboacyl group 17440
                                            carbamoyl group 17249
                                              carboxamide 17249
                                                peptide 9453
                                                  depsipeptide 356
                                                    (+)-jasplakinolide Z1 0
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