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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:atracurium
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Accession:CHEBI:2914 term browser browse the term
Definition:A diester compound consisting of pentane-1,5-diol with both hydroxyls bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups.
Synonyms:exact_synonym: 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: 1-[(3,4-dimethoxyphenyl)methyl]-2-[3-({5-[(3-{1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl}propanoyl)oxy]pentyl}oxy)-3-oxopropyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;   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;   InChIKey=YXSLJKQTIDHPOT-UHFFFAOYSA-N;   SMILES=COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC
 alt_id: CHEBI:340391;   CHEBI:406485
 xref: Beilstein:1523633;   CAS:64228-79-1;   DrugBank:DB00732;   Drug_Central:259;   KEGG:C07548;   LINCS:LSM-5147
 xref_mesh: MESH:D001279
 xref: PMID:11123992;   PMID:15225721;   Wikipedia:Atracurium



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atracurium term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Chrna3 cholinergic receptor nicotinic alpha 3 subunit multiple interactions ISO Atracurium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA3 protein binds to CHRNB2 protein]]; Atracurium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA3 protein binds to CHRNB4 protein]] CTD PMID:16931985 NCBI chr 8:55,401,981...55,415,012
Ensembl chr 8:55,401,702...55,415,165
JBrowse link
G Chrna4 cholinergic receptor nicotinic alpha 4 subunit multiple interactions ISO Atracurium 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 Atracurium inhibits the reaction [Acetylcholine results in increased activity of CHRNA7 protein] CTD PMID:16931985 NCBI chr 1:116,715,286...116,837,223
Ensembl chr 1:116,714,711...116,837,240
JBrowse link
G Chrnb2 cholinergic receptor nicotinic beta 2 subunit multiple interactions ISO Atracurium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA3 protein binds to CHRNB2 protein]]; Atracurium 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 Atracurium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA3 protein binds to CHRNB4 protein]] CTD PMID:16931985 NCBI chr 8:55,418,379...55,436,967
Ensembl chr 8:55,418,313...55,437,027
JBrowse link
G Hexb hexosaminidase subunit beta increases secretion ISO Atracurium results in increased secretion of HEXB protein CTD PMID:19758318 NCBI chr 2:28,483,997...28,504,165
Ensembl chr 2:28,484,012...28,504,223
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    chemical entity 19800
      molecular entity 19799
        ion 16250
          organic ion 9167
            organic cation 8100
              quaternary ammonium ion 5116
                atracurium 6
                  atracurium besylate + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    main group molecular entity 19698
                      s-block molecular entity 19479
                        hydrogen molecular entity 19471
                          hydrides 18834
                            inorganic hydride 17691
                              pnictogen hydride 17671
                                nitrogen hydride 17543
                                  ammonium 8235
                                    ammonium ion derivative 8231
                                      quaternary ammonium ion 5116
                                        atracurium 6
                                          atracurium besylate + 0
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