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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: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
 xref_mesh: MESH:C093787
 xref: PDBeChem:EP;   PMID:10831849;   PMID:11133086;   PMID:16134928;   PMID:18271516;   PMID:9873670;   Patent:DE4138042;   Reaxys:7555910


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epothilone A term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Casp3 caspase 3 increases expression
multiple interactions		 ISO epothilone A results in increased expression of CASP3 mRNA
[epothilone A co-treated with Metformin] results in increased expression of CASP3 mRNA; Sodium Salicylate promotes the reaction [[epothilone A co-treated with Metformin] results in increased expression of CASP3 mRNA]; triciribine promotes the reaction [[epothilone A co-treated with Metformin] results in increased expression of CASP3 mRNA]		 CTD PMID:29117515 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648 		JBrowse link
G H2ax H2A.X variant histone multiple interactions
increases expression		 ISO [epothilone A co-treated with Metformin] results in increased expression of H2AX mRNA
epothilone A results in increased expression of H2AX mRNA		 CTD PMID:29117515 NCBI chr 8:44,671,907...44,673,262
Ensembl chr 8:44,671,786...44,673,239 		JBrowse link
G Parp1 poly (ADP-ribose) polymerase 1 multiple interactions
increases expression		 ISO [epothilone A co-treated with Metformin] results in increased expression of PARP1 mRNA; Sodium Salicylate inhibits the reaction [epothilone A results in increased expression of PARP1 mRNA]; triciribine inhibits the reaction [epothilone A results in increased expression of PARP1 mRNA]; triciribine promotes the reaction [[epothilone A co-treated with Metformin] results in increased expression of PARP1 mRNA] CTD PMID:29117515 NCBI chr13:92,307,593...92,339,406
Ensembl chr13:92,307,586...92,339,404 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19900
    role 19875
      biological role 19873
        biochemical role 19567
          metabolite 19552
            epothilone A 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19900
    subatomic particle 19898
      composite particle 19898
        hadron 19898
          baryon 19898
            nucleon 19898
              atomic nucleus 19898
                atom 19898
                  main group element atom 19845
                    p-block element atom 19845
                      carbon group element atom 19792
                        carbon atom 19787
                          organic molecular entity 19787
                            organic group 18957
                              organic divalent group 18938
                                organodiyl group 18938
                                  carbonyl group 18890
                                    carbonyl compound 18890
                                      carboxylic ester 16140
                                        lactone 11533
                                          macrocyclic lactone 5854
                                            macrolide 5791
                                              epothilone 5
                                                epothilone A 3
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