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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:LSM-30877
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Accession:CHEBI:119428 term browser browse the term
Definition:An indolyl carboxylic acid that has formula C33H39N3O6S.
Synonyms:related_synonym: Formula=C33H39N3O6S;   InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(28-12-8-9-13-29(28)35(32)4)27-11-7-6-10-24(27)21-42-30(22)19-34(3)43(39,40)26-16-14-25(41-5)15-17-26/h6-17,22-23,30,37H,18-21H2,1-5H3/t22-,23+,30-/m1/s1;   InChIKey=GGYLTZASASDOIP-DUELTEGESA-N;   SMILES=C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO
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Path 1
Term Annotations click to browse term
  CHEBI ontology 26041
    role 25957
      chemical role 24249
        donor 23230
          Bronsted acid 23018
            oxoacid 22984
              carbon oxoacid 22757
                carboxylic acid 22737
                  indolyl carboxylic acid 3695
                    LSM-30877 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    p-block element atom 25841
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            organic molecule 25228
                              organic cyclic compound 24281
                                organic heterocyclic compound 22324
                                  organic heteropolycyclic compound 21331
                                    organic heterobicyclic compound 18584
                                      benzopyrrole 10287
                                        indoles 9965
                                          indolyl carboxylic acid 3695
                                            LSM-30877 0
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