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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:eprinomectin component B1b
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Accession:CHEBI:82598 term browser browse the term
Definition:An avermectin analogue that is eprinomectin B1a in which the butan-2-yl substituent of the spiroketal moiety is replaced by an isopropyl group.
Synonyms:exact_synonym: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2'-pyran]-7-yl 4-O-(4-acetamido-2,4,6-trideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside
 related_synonym: (4''R)-4''-(acetylamino)-5-O-demethyl-25-de(1-methylpropyl)-4''-deoxy-15-(1-methylethyl)avermectin A1a;   Formula=C49H73NO14;   InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b13-12+,27-15+,33-14+/t26-,28-,30-,31-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43+,44-,45-,46+,48+,49+/m0/s1;   InChIKey=WPNHOHPRXXCPRA-UCRMFYOVSA-N;   SMILES=CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]2[C@@H](C)\\C=C\\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]5C[C@@H](C\\C=C2/C)O[C@@]2(C5)O[C@H](C(C)C)[C@@H](C)C=C2)[C@]34O)O[C@@H](C)[C@@H]1NC(C)=O;   eprinomectin B1b
 xref: CAS:133305-89-2;   Reaxys:10757160


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eprinomectin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb1a ATP binding cassette subfamily B member 1A decreases activity ISO eprinomectin results in decreased activity of ABCB1A protein CTD PMID:17134887 NCBI chr 4:22,339,829...22,517,642
Ensembl chr 4:22,133,521...22,425,515
JBrowse link
G Ncoa2 nuclear receptor coactivator 2 multiple interactions ISO eprinomectin inhibits the reaction [Chenodeoxycholic Acid promotes the reaction [NCOA2 protein modified form binds to NR1H4 protein]] CTD PMID:27773686 NCBI chr 5:5,466,544...5,696,540
Ensembl chr 5:5,616,483...5,694,598
JBrowse link
G Nr1h4 nuclear receptor subfamily 1, group H, member 4 multiple interactions ISO eprinomectin inhibits the reaction [Chenodeoxycholic Acid promotes the reaction [NCOA2 protein modified form binds to NR1H4 protein]] CTD PMID:27773686 NCBI chr 7:30,003,429...30,162,095
Ensembl chr 7:30,003,429...30,162,056
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    chemical entity 19841
      atom 19839
        nonmetal atom 19720
          carbon atom 19625
            organic molecular entity 19625
              semisynthetic derivative 1627
                eprinomectin component B1b 3
                  eprinomectin 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19732
                    p-block element atom 19732
                      carbon group element atom 19636
                        carbon atom 19625
                          organic molecular entity 19625
                            organic group 18537
                              organic divalent group 18528
                                organodiyl group 18528
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      carboxylic acid 18113
                                        carboacyl group 17377
                                          univalent carboacyl group 17377
                                            carbamoyl group 17164
                                              carboxamide 17164
                                                acetamides 12401
                                                  eprinomectin component B1b 3
                                                    eprinomectin 3
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