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Term:epothilone A
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Accession:CHEBI:31549 term browser browse the term
Definition:An epithilone that is epothilone C in which the double bond in the macrocyclic lactone ring has been oxidised to the corresponding epoxide (the 13R,14S diastereoisomer).
Synonyms:exact_synonym: (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
 related_synonym: (1S,7S,10R,11S,12S,16R)-7-Hydroxy-11-(S)-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-methyl-2-(2-methyl-thiazol-4-yl)-vinyl]-4,17-dioxa-bicyclo[14.1.0]heptadecane-5,9-dione;   Epo A;   Formula=C26H39NO6S;   InChI=1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20?,21-,22-,24-/m0/s1;   InChIKey=HESCAJZNRMSMJG-KKQRBIROSA-N;   SMILES=C1[C@](OC(C[C@@H](C(C([C@@H]([C@H]([C@H](CCC[C@@]2([C@]1(O2)[H])[H])C)O)C)=O)(C)C)O)=O)(/C(=C/C=3N=C(SC3)C)/C)[H]
 alt_id: CHEBI:252957;   CHEBI:42387
 xref: KEGG:C12153;   LIPID_MAPS_instance:LMPK04000040 "LIPID MAPS"
 xref_mesh: MESH:C093787
 xref: PDBeChem:EP;   PMID:10831849 "Europe PMC";   PMID:11133086 "ChEMBL";   PMID:16134928 "ChEMBL";   PMID:18271516 "ChEMBL";   PMID:9873670 "ChEMBL";   Patent:DE4138042;   Reaxys:7555910 "Reaxys"

show annotations for term's descendants       view all columns           Sort by:
epothilone A term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Casp3 caspase 3 JBrowse link 16 48,845,011 48,863,249 RGD:6480464
G H2ax H2A.X variant histone JBrowse link 8 48,665,652 48,666,981 RGD:6480464
G Parp1 poly (ADP-ribose) polymerase 1 JBrowse link 13 98,857,255 98,889,444 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19728
    role 19675
      biological role 19673
        biochemical role 19178
          metabolite 19150
            epothilone A 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19728
    subatomic particle 19724
      composite particle 19724
        hadron 19724
          baryon 19724
            nucleon 19724
              atomic nucleus 19724
                atom 19724
                  main group element atom 19610
                    p-block element atom 19610
                      carbon group element atom 19501
                        carbon atom 19494
                          organic molecular entity 19494
                            organic group 18413
                              organic divalent group 18404
                                organodiyl group 18404
                                  carbonyl group 18293
                                    carbonyl compound 18293
                                      carboxylic ester 13965
                                        lactone 5868
                                          macrocyclic lactone 1553
                                            macrolide 1494
                                              epothilone 5
                                                epothilone A 3
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.