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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 19808
    role 19784
      biological role 19782
        biochemical role 19496
          metabolite 19484
            epothilone A 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            heteroorganic entity 19460
                              organochalcogen compound 19224
                                organooxygen compound 19141
                                  ester 17332
                                    carboxylic ester 16714
                                      lactone 13224
                                        macrocyclic lactone 7575
                                          macrolide 7523
                                            epothilone 5
                                              epothilone A 3
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