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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 8:55,401,668...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 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 1:116,711,559...116,837,269
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 8:55,417,583...55,437,027
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 19899
    chemical entity 19897
      molecular entity 19897
        ion 17101
          organic ion 11455
            organic cation 8962
              quaternary ammonium ion 5300
                atracurium 6
                  atracurium besylate + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    main group molecular entity 19835
                      s-block molecular entity 19669
                        hydrogen molecular entity 19651
                          hydrides 19162
                            inorganic hydride 18183
                              pnictogen hydride 18173
                                nitrogen hydride 18086
                                  ammonium 8325
                                    ammonium ion derivative 8320
                                      quaternary ammonium ion 5300
                                        atracurium 6
                                          atracurium besylate + 0
paths to the root