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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 B
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Accession:CHEBI:31550 term browser browse the term
Definition:An epithilone that is epithilone D in which the double bond in the macrocyclic ring has been oxidised to the corresponding epoxide (the S,S stereoisomer).
Synonyms:exact_synonym: (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-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: EPO 906;   Epo B;   EpoB;   Formula=C27H41NO6S;   InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1;   InChIKey=QXRSDHAAWVKZLJ-PVYNADRNSA-N;   SMILES=C1[C@](OC(C[C@@H](C(C([C@@H]([C@H]([C@H](CCC[C@@]2([C@]1(O2)[H])C)C)O)C)=O)(C)C)O)=O)(/C(=C/C=3N=C(SC3)C)/C)[H];   patupilona;   patupilone;   patupilonum
 alt_id: CHEBI:42432
 xref: CAS:152044-54-7;   DrugBank:DB03010;   KEGG:C12154;   KNApSAcK:C00044747;   LIPID_MAPS_instance:LMPK04000041
 xref_mesh: MESH:C093788
 xref: PDBeChem:EPB;   PMID:10831849;   PMID:21743064;   PMID:22234539;   PMID:22688083;   PMID:22918719;   PMID:23205945;   PMID:23214997;   PMID:23801302;   PMID:24374386;   PMID:24470546;   PMID:24583341;   PMID:24913659;   PMID:25694444;   PMID:25721485;   PMID:25765066;   PMID:25919223;   PMID:26081685;   PMID:26308485;   PMID:26316786;   Reaxys:7556514



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epothilone B term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Calca calcitonin-related polypeptide alpha decreases expression
multiple interactions
EXP epothilone B results in decreased expression of CALCA protein
epothilone B affects the reaction [[Capsaicin co-treated with NGF protein] results in increased secretion of CALCA protein]; epothilone B inhibits the reaction [Potassium results in increased secretion of CALCA protein]; epothilone B promotes the reaction [[Potassium co-treated with NGF protein] results in increased secretion of CALCA protein]
CTD PMID:26883566 NCBI chr 1:168,878,212...168,883,176
Ensembl chr 1:168,878,214...168,883,105
JBrowse link
G Ngf nerve growth factor multiple interactions EXP epothilone B affects the reaction [[Capsaicin co-treated with NGF protein] results in increased secretion of CALCA protein]; epothilone B promotes the reaction [[Potassium co-treated with NGF protein] results in increased secretion of CALCA protein] CTD PMID:26883566 NCBI chr 2:189,901,058...189,954,452
Ensembl chr 2:189,901,058...189,954,452
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20056
    role 20008
      biological role 20007
        biochemical role 19640
          apoptosis inducer 13408
            epothilone B 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 20056
    subatomic particle 20054
      composite particle 20054
        hadron 20054
          baryon 20054
            nucleon 20054
              atomic nucleus 20054
                atom 20054
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19875
                          organic molecular entity 19875
                            organic group 18961
                              organic divalent group 18947
                                organodiyl group 18947
                                  carbonyl group 18900
                                    carbonyl compound 18900
                                      carboxylic ester 15933
                                        lactone 11283
                                          macrocyclic lactone 5599
                                            macrolide 5551
                                              epothilone 5
                                                epothilone B 2
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