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ONTOLOGY REPORT - ANNOTATIONS


Term:rocuronium
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Accession:CHEBI:8884 term browser browse the term
Definition:A 5alpha-androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents.
Synonyms:exact_synonym: (2beta,3alpha,5alpha,16beta,17beta)-17-acetoxy-16-(1-allylpyrrolidinium-1-yl)-3-hydroxy-2-(morpholin-4-yl)androstane
 related_synonym: Formula=C32H53N2O4;   InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1;   InChIKey=YXRDKMPIGHSVRX-OOJCLDBCSA-N;   SMILES=[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OC(C)=O)[C@H](C[C@@]34[H])[N+]3(CCCC3)CC=C)[C@@]1(C)C[C@@H]([C@@H](O)C2)N1CCOCC1
 alt_id: CHEBI:340257
 xref: Beilstein:7155288 "Beilstein";   CAS:143558-00-3 "ChemIDplus";   CAS:143558-00-3 "KEGG COMPOUND";   DrugBank:DB00728;   Drug_Central:2396 "DrugCentral";   KEGG:C07556
 xref_mesh: MESH:C061870
 xref: PMID:10594422 "Europe PMC";   PMID:11123992 "ChEMBL";   PMID:16764586 "Europe PMC";   PMID:17667569 "Europe PMC";   PMID:23238810 "Europe PMC";   PMID:23372882 "Europe PMC";   PMID:23544332 "Europe PMC";   PMID:23560186 "Europe PMC";   PMID:23641322 "Europe PMC";   PMID:23678983 "Europe PMC";   PMID:23859417 "Europe PMC";   PMID:24147111 "Europe PMC";   PMID:29368335 "Europe PMC";   PMID:7741284 "Europe PMC";   PMID:8279688 "Europe PMC";   Reaxys:7155288 "Reaxys";   Wikipedia:Rocuronium


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rocuronium term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Chrm1 cholinergic receptor, muscarinic 1 JBrowse link 1 224,869,087 224,885,101 RGD:6480464
G Chrm2 cholinergic receptor, muscarinic 2 JBrowse link 4 64,089,028 64,091,090 RGD:6480464
G Chrm3 cholinergic receptor, muscarinic 3 JBrowse link 17 63,990,599 64,463,222 RGD:6480464
G Chrm4 cholinergic receptor, muscarinic 4 JBrowse link 3 80,833,272 80,841,165 RGD:6480464
G Chrm5 cholinergic receptor, muscarinic 5 JBrowse link 3 103,966,451 104,018,815 RGD:6480464
G Chrna3 cholinergic receptor nicotinic alpha 3 subunit JBrowse link 8 59,594,007 59,607,122 RGD:6480464
G Chrna4 cholinergic receptor nicotinic alpha 4 subunit JBrowse link 3 176,533,182 176,547,965 RGD:6480464
G Chrna7 cholinergic receptor nicotinic alpha 7 subunit JBrowse link 1 123,897,341 124,039,263 RGD:6480464
G Chrnb2 cholinergic receptor nicotinic beta 2 subunit JBrowse link 2 189,088,570 189,096,785 RGD:6480464
G Chrnb4 cholinergic receptor nicotinic beta 4 subunit JBrowse link 8 59,610,489 59,629,073 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19654
    role 19598
      application 19220
        pharmaceutical 19081
          drug 19081
            neuromuscular agent 1282
              rocuronium 10
                rocuronium bromide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19654
    subatomic particle 19650
      composite particle 19650
        hadron 19650
          baryon 19650
            nucleon 19650
              atomic nucleus 19650
                atom 19650
                  main group element atom 19531
                    p-block element atom 19531
                      carbon group element atom 19413
                        carbon atom 19405
                          organic molecular entity 19405
                            organic group 18331
                              organic divalent group 18321
                                organodiyl group 18321
                                  carbonyl group 18209
                                    carbonyl compound 18209
                                      carboxylic acid 17908
                                        monocarboxylic acid 17245
                                          acetic acid 10579
                                            acetate ester 3175
                                              rocuronium 10
                                                rocuronium bromide 0
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