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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 EXP 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 chr15:78,593,052...78,620,996
Ensembl chr15:78,593,052...78,621,295
JBrowse link
G CHRNA4 cholinergic receptor nicotinic alpha 4 subunit multiple interactions EXP Atracurium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA4 protein binds to CHRNB2 protein]] CTD PMID:16931985 NCBI chr20:63,343,223...63,375,471
Ensembl chr20:63,343,223...63,378,401
JBrowse link
G CHRNA7 cholinergic receptor nicotinic alpha 7 subunit multiple interactions EXP Atracurium inhibits the reaction [Acetylcholine results in increased activity of CHRNA7 protein] CTD PMID:16931985 NCBI chr15:32,030,462...32,173,018
Ensembl chr15:31,923,438...32,173,018
JBrowse link
G CHRNB2 cholinergic receptor nicotinic beta 2 subunit multiple interactions EXP 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 1:154,567,778...154,584,708
Ensembl chr 1:154,567,778...154,580,013
JBrowse link
G CHRNB4 cholinergic receptor nicotinic beta 4 subunit multiple interactions EXP Atracurium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA3 protein binds to CHRNB4 protein]] CTD PMID:16931985 NCBI chr15:78,623,282...78,655,586
Ensembl chr15:78,624,111...78,727,754
JBrowse link
G HEXB hexosaminidase subunit beta increases secretion EXP Atracurium results in increased secretion of HEXB protein CTD PMID:19758318 NCBI chr 5:74,640,023...74,721,288
Ensembl chr 5:74,640,023...74,722,647
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 24513
    chemical entity 24481
      molecular entity 24444
        ion 17255
          organic ion 8778
            organic cation 7509
              quaternary ammonium ion 5181
                atracurium 6
                  atracurium besylate + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24513
    subatomic particle 24471
      composite particle 24471
        hadron 24471
          baryon 24471
            nucleon 24471
              atomic nucleus 24471
                atom 24471
                  main group element atom 24327
                    main group molecular entity 24327
                      s-block molecular entity 23604
                        hydrogen molecular entity 23436
                          hydrides 21958
                            inorganic hydride 19163
                              pnictogen hydride 19135
                                nitrogen hydride 18813
                                  ammonium 8040
                                    ammonium ion derivative 8036
                                      quaternary ammonium ion 5181
                                        atracurium 6
                                          atracurium besylate + 0
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