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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: Beilstein:7155288;   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 1:224,869,087...224,885,101
Ensembl chr 1:224,882,439...224,884,205 		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 4:64,089,028...64,091,090
Ensembl chr 4:64,088,900...64,091,090 		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 chr17:63,990,599...64,463,222
Ensembl chr17:63,990,599...63,994,169 		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 3:80,833,272...80,841,165
Ensembl chr 3:80,833,272...80,841,006 		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 3:103,966,451...104,018,815
Ensembl chr 3:103,966,451...104,018,861 		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 8:59,594,007...59,607,122
Ensembl chr 8:59,592,403...59,607,275 		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 3:176,533,182...176,547,965
Ensembl chr 3:176,527,516...176,548,208 		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 1:123,897,341...124,039,263
Ensembl chr 1:123,899,657...124,039,196 		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 2:189,088,570...189,096,785
Ensembl chr 2:189,088,570...189,096,785 		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 8:59,610,489...59,629,073
Ensembl chr 8:59,609,693...59,629,133 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    role 19792
      application 19465
        pharmaceutical 19338
          drug 19338
            neuromuscular agent 1296
              rocuronium 10
                rocuronium bromide 0
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
                                        monocarboxylic acid 17483
                                          acetic acid 10821
                                            acetate ester 3811
                                              rocuronium 10
                                                rocuronium bromide 0
paths to the root