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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: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: CAS:143558-00-3;   DrugBank:DB00728;   Drug_Central:2396;   KEGG:C07556
 xref_mesh: MESH:C061870
 xref: PMID:10594422;   PMID:11123992;   PMID:16764586;   PMID:17667569;   PMID:23238810;   PMID:23372882;   PMID:23544332;   PMID:23560186;   PMID:23641322;   PMID:23678983;   PMID:23859417;   PMID:24147111;   PMID:29368335;   PMID:7741284;   PMID:8279688;   Reaxys:7155288;   Wikipedia:Rocuronium


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rocuronium term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Chrm1 cholinergic receptor, muscarinic 1 multiple interactions ISO rocuronium inhibits the reaction [N-Methylscopolamine binds to CHRM1 protein] CTD PMID:9846649 NCBI chr 1:205,567,226...205,583,001
Ensembl chr 1:205,567,220...205,582,356 		JBrowse link
G Chrm2 cholinergic receptor, muscarinic 2 multiple interactions ISO rocuronium inhibits the reaction [N-Methylscopolamine binds to CHRM2 protein] CTD PMID:9846649 NCBI chr 4:65,015,408...65,149,104
Ensembl chr 4:65,014,144...65,149,103 		JBrowse link
G Chrm3 cholinergic receptor, muscarinic 3 multiple interactions ISO rocuronium inhibits the reaction [N-Methylscopolamine binds to CHRM3 protein] CTD PMID:9846649 NCBI chr17:60,005,137...60,467,250
Ensembl chr17:60,005,202...60,467,278 		JBrowse link
G Chrm4 cholinergic receptor, muscarinic 4 multiple interactions ISO rocuronium inhibits the reaction [N-Methylscopolamine binds to CHRM4 protein] CTD PMID:9846649 NCBI chr 3:77,893,425...77,901,166
Ensembl chr 3:77,893,425...77,901,159 		JBrowse link
G Chrm5 cholinergic receptor, muscarinic 5 multiple interactions ISO rocuronium inhibits the reaction [N-Methylscopolamine binds to CHRM5 protein] CTD PMID:9846649 NCBI chr 3:99,284,846...99,337,252
Ensembl chr 3:99,284,846...99,337,252 		JBrowse link
G Chrna3 cholinergic receptor nicotinic alpha 3 subunit multiple interactions ISO rocuronium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA3 protein binds to CHRNB2 protein]]; rocuronium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA3 protein binds to CHRNB4 protein]] CTD PMID:16931985 NCBI chr 8:55,401,668...55,415,165
Ensembl chr 8:55,401,702...55,415,165 		JBrowse link
G Chrna4 cholinergic receptor nicotinic alpha 4 subunit multiple interactions ISO rocuronium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA4 protein binds to CHRNB2 protein]] CTD PMID:16931985 NCBI chr 3:168,136,246...168,157,839
Ensembl chr 3:168,136,266...168,156,957 		JBrowse link
G Chrna7 cholinergic receptor nicotinic alpha 7 subunit multiple interactions ISO rocuronium inhibits the reaction [Acetylcholine results in increased activity of CHRNA7 protein] CTD PMID:16931985 NCBI chr 1:126,123,425...126,249,181
Ensembl chr 1:116,714,711...116,837,240 		JBrowse link
G Chrnb2 cholinergic receptor nicotinic beta 2 subunit multiple interactions ISO rocuronium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA3 protein binds to CHRNB2 protein]]; rocuronium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA4 protein binds to CHRNB2 protein]] CTD PMID:16931985 NCBI chr 2:175,181,402...175,189,619
Ensembl chr 2:175,181,402...175,189,619 		JBrowse link
G Chrnb4 cholinergic receptor nicotinic beta 4 subunit multiple interactions ISO rocuronium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA3 protein binds to CHRNB4 protein]] CTD PMID:16931985 NCBI chr 8:55,417,583...55,437,027
Ensembl chr 8:55,418,313...55,437,027 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20856
    role 20816
      application 20617
        pharmaceutical 20413
          drug 20413
            neuromuscular agent 1338
              rocuronium 10
                rocuronium bromide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20856
    subatomic particle 20854
      composite particle 20854
        hadron 20854
          baryon 20854
            nucleon 20854
              atomic nucleus 20854
                atom 20854
                  main group element atom 20777
                    p-block element atom 20777
                      carbon group element atom 20710
                        carbon atom 20704
                          organic molecular entity 20704
                            heteroorganic entity 20215
                              organochalcogen compound 19902
                                organooxygen compound 19804
                                  carbon oxoacid 19150
                                    carboxylic acid 19147
                                      monocarboxylic acid 18300
                                        acetic acid 11168
                                          acetate ester 4084
                                            rocuronium 10
                                              rocuronium bromide 0
paths to the root