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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:cucurbit[7]uril
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Accession:CHEBI:51434 term browser browse the term
Definition:A cucurbituril that has formula C42H42N28O14.
Synonyms:related_synonym: CB[7];   Formula=C42H42N28O14;   InChI=1S/C42H42N28O14/c71-29-43-1-44-16-18-48(30(44)72)4-52-20-22-56(34(52)76)8-60-24-26-64(38(60)80)12-68-28-27-67(41(68)83)11-63-25-23-59(37(63)79)7-55-21-19-51(33(55)75)3-47(29)17-15(43)45-2-46(16)32(74)50(18)6-54(20)36(78)58(22)10-62(24)40(82)66(26)14-70(28)42(84)69(27)13-65(25)39(81)61(23)9-57(21)35(77)53(19)5-49(17)31(45)73/h15-28H,1-14H2/t15-,16+,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-,28+;   InChIKey=ZDOBFUIMGBWEAB-XGFHMVPTSA-N;   SMILES=[H][C@@]12N3CN4C(=O)N5CN6C(=O)N7CN8C(=O)N9CN%10C(=O)N%11CN%12C(=O)N%13CN%14C(=O)N%15CN(C3=O)[C@]1([H])N1CN3C(=O)N(CN%16C(=O)N(CN%17C(=O)N(CN%18C(=O)N(CN%19C(=O)N(CN%20C(=O)N(CN2C1=O)[C@]4([H])[C@@]5%20[H])[C@]6([H])[C@@]7%19[H])[C@]8([H])[C@@]9%18[H])[C@]%10([H])[C@@]%11%17[H])[C@]%12([H])[C@@]%13%16[H])[C@]%14([H])[C@@]%153[H]
 xref: Beilstein:9038507;   Gmelin:2047207
 xref_mesh: MESH:C456276


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cucurbit[7]uril term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ache acetylcholinesterase multiple interactions ISO [[1-(4-hydroxyiminomethylpyridinium)-3-(carbamoylpyridinium) propane dibromide co-treated with cucurbit(7)uril] co-treated with Atropine] inhibits the reaction [Sarin results in decreased activity of ACHE protein] CTD PMID:31794810 NCBI chr12:19,406,133...19,413,713
Ensembl chr12:19,407,360...19,413,651 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    chemical entity 19897
      group 19850
        organic group 19002
          organic tetravalent group 1
            glycoluril residue 1
              cis-glycoluril residue 1
                cucurbituril 1
                  cucurbit[7]uril 1
                    cucurbit[7]uril--oxaliplatin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            heteroorganic entity 19532
                              organochalcogen compound 19293
                                organooxygen compound 19209
                                  carbon oxoacid 18678
                                    carboxylic acid 18675
                                      carboacyl group 17725
                                        univalent carboacyl group 17725
                                          carbamoyl group 17577
                                            carboxamide 17577
                                              monocarboxylic acid amide 15750
                                                urea 6233
                                                  ureas 6231
                                                    glycoluril 1
                                                      cis-glycoluril 1
                                                        cis-glycoluril residue 1
                                                          cucurbituril 1
                                                            cucurbit[7]uril 1
                                                              cucurbit[7]uril--oxaliplatin 0
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