Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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:eribulin mesylate
go back to main search page
Accession:CHEBI:70710 term browser browse the term
Definition:A methanesulfonate salt obtained by reaction of eribulin with one equivalent of methanesulfonic acid. A fully synthetic macrocyclic ketone analogue of marine sponge natural products. Inhibits growth phase of microtubules via tubulin-based antimitotic mechanism, which leads to G2/M cell-cycle block, disruption of mitotic spindles, and, ultimately, apoptotic cell death after prolonged mitotic blockage.
Synonyms:exact_synonym: 2-(3-amino-2-hydroxypropyl)hexacosahydro-3-methoxy-26-methyl-20,27-bis(methylene)11,15-18,21-24,28-triepoxy-7,9-ethano-12,15-methano-9H,15H-furo(3,2-i)furo(2',3'-5,6)pyrano(4,3-b)(1,4)dioxacyclopentacosin-5-(4H)-one methanesulfonate
 related_synonym: E 7389;   E7389;   Eribulin mesilate;   Formula=C41H63NO14S;   Halaven;   InChI=1S/C40H59NO11.CH4O3S/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41;1-5(2,3)4/h19,23-39,43H,2-3,5-18,41H2,1,4H3;1H3,(H,2,3,4)/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+;/m1./s1;   InChIKey=QAMYWGZHLCQOOJ-WRNBYXCMSA-N;   SMILES=CS(O)(=O)=O.[H][C@@]12CC[C@]3([H])O[C@@]([H])(CC[C@@]45C[C@]6([H])O[C@]7([H])[C@@]([H])(O[C@@]8([H])CC[C@]([H])(CC(=O)C[C@]9([H])[C@@H](OC)[C@@H](C[C@H](O)CN)O[C@@]9([H])C[C@@]([H])(O1)C(=C)[C@H](C)C2)O[C@]8([H])[C@]7([H])O4)[C@H]6O5)CC3=C
 xref: CAS:441045-17-6;   KEGG:D08914;   PMID:21375468;   PMID:21526355;   PMID:21550727;   PMID:21862415;   PMID:21887501;   PMID:21903605;   PMID:21935916;   PMID:21989327;   PMID:22162924;   PMID:22198425;   PMID:22216781;   PMID:22282463;   PMID:22291464;   PMID:22514495;   PMID:22517020;   PMID:22555773;   PMID:22593439;   PMID:22619477;   PMID:22694309;   PMID:22739019;   PMID:22803519;   PMID:22829199;   PMID:22953094;   PMID:23010853;   Reaxys:11271529


show annotations for term's descendants           Sort by:
 

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19761
    role 19711
      application 19401
        pharmaceutical 19289
          drug 19289
            antineoplastic agent 17257
              eribulin mesylate 0
Path 2
Term Annotations click to browse term
  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
                      chalcogen 19382
                        oxygen atom 19345
                          oxygen molecular entity 19345
                            hydroxides 19071
                              oxoacid 18269
                                chalcogen oxoacid 11494
                                  sulfur oxoacid 11100
                                    sulfonic acid 7358
                                      sulfo group 5755
                                        organosulfonic acid 5755
                                          alkanesulfonic acid 3979
                                            methanesulfonic acid 3968
                                              methanesulfonates 3965
                                                methanesulfonate salt 1
                                                  eribulin mesylate 0
paths to the root