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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 1:184,184,018...184,188,922
Ensembl chr 1:184,184,020...184,188,911
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 2:204,886,158...204,939,523
Ensembl chr 2:204,886,202...204,940,453
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      biological role 19732
        biochemical role 19281
          apoptosis inducer 10893
            epothilone B 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic group 18493
                              organic divalent group 18486
                                organodiyl group 18486
                                  carbonyl group 18389
                                    carbonyl compound 18389
                                      carboxylic ester 14073
                                        lactone 5978
                                          macrocyclic lactone 1730
                                            macrolide 1597
                                              epothilone 5
                                                epothilone B 2
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