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
Accession: CHEBI:8884
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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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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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