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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:meso-doxacurium chloride
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Accession:CHEBI:59819 term browser browse the term
Definition:The dichloride salt of meso-doxacurium.
Synonyms:exact_synonym: (1R,2S,1'S,2'R)-2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxypropane-3,1-diyl)]bis[6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolinium] dichloride
 related_synonym: (1R,2S;1S,2R)-1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)isoquinolinium chloride, succinate (2:1);   Formula=C56H78Cl2N2O16;   InChI=1S/C56H78N2O16.2ClH/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6;;/h29-34,39-40H,15-28H2,1-14H3;2*1H/q+2;;/p-2/t39-,40+,57-,58+;;;   InChIKey=APADFLLAXHIMFU-LGIHQUBZSA-L;   SMILES=[Cl-].[Cl-].COc1cc(C[C@H]2c3c(CC[N@+]2(C)CCCOC(=O)CCC(=O)OCCC[N@+]2(C)CCc4cc(OC)c(OC)c(OC)c4[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c(OC)c3OC)cc(OC)c1OC


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  CHEBI ontology 19765
    role 19738
      biological role 19736
        biochemical role 19452
          cofactor 16057
            chloride 8496
              chloride salt 8496
                meso-doxacurium chloride 0
                  doxacurium chloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19765
    subatomic particle 19763
      composite particle 19763
        hadron 19763
          baryon 19763
            nucleon 19763
              atomic nucleus 19763
                atom 19763
                  main group element atom 19712
                    main group molecular entity 19712
                      s-block molecular entity 19567
                        hydrogen molecular entity 19558
                          hydrides 19031
                            inorganic hydride 17953
                              pnictogen hydride 17939
                                nitrogen hydride 17836
                                  ammonium 8294
                                    ammonium ion derivative 8290
                                      ammonium compound 5186
                                        organoammonium salt 642
                                          quaternary ammonium salt 530
                                            meso-doxacurium chloride 0
                                              doxacurium chloride 0
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