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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 chr16:48,845,011...48,863,249
Ensembl chr16:48,845,012...48,863,204
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 8:48,665,652...48,666,981
Ensembl chr 8:48,665,652...48,666,981
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 chr13:98,857,255...98,889,444
Ensembl chr13:98,857,177...98,889,716
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        biochemical role 19282
          metabolite 19263
            epothilone A 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      carboxylic ester 14077
                                        lactone 5979
                                          macrocyclic lactone 1731
                                            macrolide 1598
                                              epothilone 5
                                                epothilone A 3
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