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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 polypeptide 3 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 9:55,010,117...55,026,562
Ensembl chr 9:55,010,111...55,026,562
JBrowse link
G Chrna4 cholinergic receptor, nicotinic, alpha polypeptide 4 multiple interactions ISO Atracurium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA4 protein binds to CHRNB2 protein]] CTD PMID:16931985 NCBI chr 2:181,022,311...181,043,579
Ensembl chr 2:181,018,380...181,043,546
JBrowse link
G Chrna7 cholinergic receptor, nicotinic, alpha polypeptide 7 multiple interactions ISO Atracurium inhibits the reaction [Acetylcholine results in increased activity of CHRNA7 protein] CTD PMID:16931985 NCBI chr 7:63,098,692...63,212,526
Ensembl chr 7:63,098,692...63,212,569
JBrowse link
G Chrnb2 cholinergic receptor, nicotinic, beta polypeptide 2 (neuronal) 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 3:89,753,448...89,764,632
Ensembl chr 3:89,746,195...89,764,632
JBrowse link
G Chrnb4 cholinergic receptor, nicotinic, beta polypeptide 4 multiple interactions ISO Atracurium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA3 protein binds to CHRNB4 protein]] CTD PMID:16931985 NCBI chr 9:55,028,154...55,048,953
Ensembl chr 9:55,028,154...55,048,779
JBrowse link
G Hexb hexosaminidase B increases secretion ISO Atracurium results in increased secretion of HEXB protein CTD PMID:19758318 NCBI chr13:97,176,331...97,198,357
Ensembl chr13:97,176,331...97,198,357
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 21720
    chemical entity 21718
      molecular entity 21705
        ion 16630
          organic ion 8621
            organic cation 7440
              quaternary ammonium ion 5241
                atracurium 6
                  atracurium besylate + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21720
    subatomic particle 21706
      composite particle 21706
        hadron 21706
          baryon 21706
            nucleon 21706
              atomic nucleus 21706
                atom 21706
                  main group element atom 21621
                    main group molecular entity 21621
                      s-block molecular entity 21158
                        hydrogen molecular entity 21094
                          hydrides 20358
                            inorganic hydride 18054
                              pnictogen hydride 18016
                                nitrogen hydride 17835
                                  ammonium 8093
                                    ammonium ion derivative 8089
                                      quaternary ammonium ion 5241
                                        atracurium 6
                                          atracurium besylate + 0
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