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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:lasalocid(1-)
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Accession:CHEBI:156364 term browser browse the term
Definition:A member of the class of benzoates that is the conjugate base of lasalocid, resulting from the deprotonation of the carboxy group. Major species at pH 7.3.
Synonyms:exact_synonym: (1S,9S)-1,5:6,9-dianhydro-9-[(3R,5S,6S,7R)-9-(2-carboxylato-3-hydroxy-4-methylphenyl)-6-hydroxy-5,7-dimethyl-4-oxononan-3-yl]-3,4,7,8-tetradeoxy-6-ethyl-2-C-ethyl-1,8-dimethyl-D-galacto-nonitol
 related_synonym: 6-[(3R,4S,5S,7R)-7-{(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydrofuran-2-yl}-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoate;   Formula=C34H53O8;   InChI=1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)/p-1/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+/m1/s1;   InChIKey=BBMULGJBVDDDNI-OWKLGTHSSA-M;   SMILES=[H][C@@]1(O[C@@](CC)(C[C@@H]1C)[C@@]1([H])CC[C@](O)(CC)[C@H](C)O1)[C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC1=C(C([O-])=O)C(O)=C(C)C=C1;   lasalocid anion
 cyclic_relationship: is_conjugate_base_of CHEBI:92181


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    chemical entity 19787
      molecular entity 19784
        ion 15918
          anion 14924
            organic anion 3012
              carboxylic acid anion 2386
                monocarboxylic acid anion 1487
                  benzoates 1266
                    lasalocid(1-) 0
                      lasalocid sodium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic ion 8320
                              organic anion 3012
                                carboxylic acid anion 2386
                                  monocarboxylic acid anion 1487
                                    benzoates 1266
                                      lasalocid(1-) 0
                                        lasalocid sodium 0
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