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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:cisatracurium
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Accession:CHEBI:140621 term browser browse the term
Definition:A diester that is the (1R,1'R,2R,2'R)-diastereoisomer of atracurium, a quaternary ammonium ion consisting of pentane-1,5-diol with both hydroxy functions bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups. The active species in the skeletal muscle relaxant cisatracurium besylate.
Synonyms:exact_synonym: (1R,2R,1'R,2'R)-2,2'-{pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]}bis[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium]
 related_synonym: (1R,2R,1'R,2'R)-atracurium;   (1R-cis,1'R-cis)-2,2'-{pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]}bis[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium];   (1R-cis,1'R-cis)-atracurium;   Formula=C53H72N2O12;   InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2/t42-,43-,54-,55-/m1/s1;   InChIKey=YXSLJKQTIDHPOT-LJCJQEJUSA-N;   SMILES=C=12[C@H]([N@+](CCC1C=C(OC)C(=C2)OC)(CCC(OCCCCCOC(CC[N@@+]3([C@@H](C4=C(C=C(OC)C(=C4)OC)CC3)CC5=CC(=C(OC)C=C5)OC)C)=O)=O)C)CC6=CC(=C(OC)C=C6)OC
 xref: CAS:96946-41-7;   DrugBank:DB00565
 xref_mesh: MESH:C101584
 xref: PMID:27703625;   PMID:28239805;   PMID:28351905;   PMID:28367286;   PMID:28770545;   PMID:29324189;   PMID:29368335;   PMID:29517695;   PMID:29635320;   Patent:WO2013189800;   Reaxys:8184048



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cisatracurium term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cdh1 cadherin 1 multiple interactions
increases expression
ISO CXCR4 protein inhibits the reaction [cisatracurium results in increased expression of CDH1 protein]; TGFB1 protein inhibits the reaction [cisatracurium results in increased expression of CDH1 protein] CTD PMID:33617803 NCBI chr19:51,402,178...51,471,572
Ensembl chr19:34,492,371...34,561,775
JBrowse link
G Cdh2 cadherin 2 decreases expression
multiple interactions
ISO cisatracurium results in decreased expression of CDH2 protein
CXCR4 protein inhibits the reaction [cisatracurium results in decreased expression of CDH2 protein]; TGFB1 protein inhibits the reaction [cisatracurium results in decreased expression of CDH2 protein]
CTD PMID:33617803 NCBI chr18:8,051,097...8,265,288
Ensembl chr18:7,776,704...7,990,167
JBrowse link
G Chrna3 cholinergic receptor nicotinic alpha 3 subunit multiple interactions ISO cisatracurium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA3 protein binds to CHRNB2 protein]]; cisatracurium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA3 protein binds to CHRNB4 protein]] CTD PMID:16931985 NCBI chr 8:64,297,755...64,311,251
Ensembl chr 8:55,401,702...55,415,165
JBrowse link
G Chrna4 cholinergic receptor nicotinic alpha 4 subunit multiple interactions ISO cisatracurium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA4 protein binds to CHRNB2 protein]] CTD PMID:16931985 NCBI chr 3:188,506,802...188,535,558
Ensembl chr 3:168,136,266...168,156,957
JBrowse link
G Chrna7 cholinergic receptor nicotinic alpha 7 subunit multiple interactions ISO cisatracurium 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 cisatracurium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA3 protein binds to CHRNB2 protein]]; cisatracurium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA4 protein binds to CHRNB2 protein]] CTD PMID:16931985 NCBI chr 2:177,479,091...177,487,306
Ensembl chr 2:175,181,402...175,189,619
JBrowse link
G Chrnb4 cholinergic receptor nicotinic beta 4 subunit multiple interactions ISO cisatracurium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA3 protein binds to CHRNB4 protein]] CTD PMID:16931985 NCBI chr 8:64,312,644...64,333,319
Ensembl chr 8:55,418,313...55,437,027
JBrowse link
G Cxcr4 C-X-C motif chemokine receptor 4 decreases expression
multiple interactions
decreases expression
ISO cisatracurium results in decreased expression of CXCR4 mRNA; cisatracurium results in decreased expression of CXCR4 protein
CXCR4 protein inhibits the reaction [cisatracurium results in decreased expression of CDH2 protein]; CXCR4 protein inhibits the reaction [cisatracurium results in decreased expression of VIM protein]; CXCR4 protein inhibits the reaction [cisatracurium results in increased expression of CDH1 protein]; TGFB1 protein inhibits the reaction [cisatracurium results in decreased expression of CXCR4 protein]
cisatracurium decreases expression of CXCR4 mRNA and protein in colonic epithelium
CTD
RGD
PMID:33617803 PMID:33617803 RGD:151893498 NCBI chr13:42,630,383...42,634,288
Ensembl chr13:40,077,976...40,081,883
JBrowse link
G Tgfb1 transforming growth factor, beta 1 multiple interactions
decreases expression
ISO TGFB1 protein inhibits the reaction [cisatracurium results in decreased expression of CDH2 protein]; TGFB1 protein inhibits the reaction [cisatracurium results in decreased expression of CXCR4 protein]; TGFB1 protein inhibits the reaction [cisatracurium results in decreased expression of TGFBR1 protein]; TGFB1 protein inhibits the reaction [cisatracurium results in decreased expression of VIM protein]; TGFB1 protein inhibits the reaction [cisatracurium results in increased expression of CDH1 protein]
cisatracurium results in decreased expression of TGFB1 protein
CTD PMID:33617803 NCBI chr 1:90,324,312...90,340,627
Ensembl chr 1:81,196,532...81,212,847
JBrowse link
G Tgfbr1 transforming growth factor, beta receptor 1 decreases expression
multiple interactions
ISO cisatracurium results in decreased expression of TGFBR1 protein
TGFB1 protein inhibits the reaction [cisatracurium results in decreased expression of TGFBR1 protein]
CTD PMID:33617803 NCBI chr 5:66,449,348...66,506,371
Ensembl chr 5:61,653,233...61,710,777
JBrowse link
G Vim vimentin decreases expression
multiple interactions
ISO cisatracurium results in decreased expression of VIM protein
CXCR4 protein inhibits the reaction [cisatracurium results in decreased expression of VIM protein]; TGFB1 protein inhibits the reaction [cisatracurium results in decreased expression of VIM protein]
CTD PMID:33617803 NCBI chr17:81,577,261...81,585,746
Ensembl chr17:76,668,647...76,677,187
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19909
    chemical entity 19907
      molecular entity 19906
        ion 17161
          organic ion 11452
            organic cation 8964
              quaternary ammonium ion 5301
                cisatracurium 11
                  cisatracurium besylate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19909
    subatomic particle 19907
      composite particle 19907
        hadron 19907
          baryon 19907
            nucleon 19907
              atomic nucleus 19907
                atom 19907
                  main group element atom 19846
                    main group molecular entity 19846
                      s-block molecular entity 19679
                        hydrogen molecular entity 19661
                          hydrides 19163
                            inorganic hydride 18182
                              pnictogen hydride 18172
                                nitrogen hydride 18079
                                  ammonium 8321
                                    ammonium ion derivative 8316
                                      quaternary ammonium ion 5301
                                        cisatracurium 11
                                          cisatracurium besylate 0
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