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ONTOLOGY REPORT - ANNOTATIONS


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 "Beilstein";   CAS:64228-79-1 "ChemIDplus";   CAS:64228-79-1 "DrugBank";   CAS:64228-79-1 "KEGG COMPOUND";   DrugBank:DB00732;   Drug_Central:259 "DrugCentral";   KEGG:C07548;   LINCS:LSM-5147
 xref_mesh: MESH:D001279
 xref: PMID:11123992 "ChEMBL";   PMID:15225721 "ChEMBL";   Wikipedia:Atracurium


show annotations for term's descendants       view all columns           Sort by:
 
atracurium term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Chrna3 cholinergic receptor nicotinic alpha 3 subunit JBrowse link 8 59,594,007 59,607,122 RGD:6480464
G Chrna4 cholinergic receptor nicotinic alpha 4 subunit JBrowse link 3 176,533,182 176,547,965 RGD:6480464
G Chrna7 cholinergic receptor nicotinic alpha 7 subunit JBrowse link 1 123,897,341 124,039,263 RGD:6480464
G Chrnb2 cholinergic receptor nicotinic beta 2 subunit JBrowse link 2 189,088,570 189,096,785 RGD:6480464
G Chrnb4 cholinergic receptor nicotinic beta 4 subunit JBrowse link 8 59,610,489 59,629,073 RGD:6480464
G Hexb hexosaminidase subunit beta JBrowse link 2 27,983,925 28,003,260 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19716
    chemical entity 19714
      molecular entity 19711
        ion 15823
          organic ion 7897
            organic cation 7118
              quaternary ammonium ion 5061
                atracurium 6
                  atracurium besylate + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19716
    subatomic particle 19712
      composite particle 19712
        hadron 19712
          baryon 19712
            nucleon 19712
              atomic nucleus 19712
                atom 19712
                  main group element atom 19598
                    main group molecular entity 19598
                      s-block molecular entity 19361
                        hydrogen molecular entity 19350
                          hydrides 18280
                            inorganic hydride 17204
                              pnictogen hydride 17166
                                nitrogen hydride 17003
                                  ammonium 8225
                                    ammonium ion derivative 8220
                                      quaternary ammonium ion 5061
                                        atracurium 6
                                          atracurium besylate + 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.