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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-31515
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Accession:CHEBI:120072 term browser browse the term
Definition:An indolyl carboxylic acid that has formula C35H42N4O5.
Synonyms:related_synonym: Formula=C35H42N4O5;   InChI=1S/C35H42N4O5/c1-23-19-39(24(2)21-40)34(41)33-32(29-12-8-9-13-30(29)38(33)4)28-11-7-6-10-26(28)22-44-31(23)20-37(3)35(42)36-18-25-14-16-27(43-5)17-15-25/h6-17,23-24,31,40H,18-22H2,1-5H3,(H,36,42)/t23-,24+,31-/m1/s1;   InChIKey=GHOSBDATJBJZOG-ULPIOCOXSA-N;   SMILES=C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NCC4=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 19834
    role 19810
      chemical role 19445
        donor 18891
          Bronsted acid 18769
            oxoacid 18742
              carbon oxoacid 18608
                carboxylic acid 18605
                  indolyl carboxylic acid 3451
                    LSM-31515 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19730
                        carbon atom 19727
                          organic molecular entity 19727
                            organic molecule 19680
                              organic cyclic compound 19492
                                organic heterocyclic compound 18854
                                  organic heteropolycyclic compound 18284
                                    organic heterobicyclic compound 17232
                                      benzopyrrole 9719
                                        indoles 9407
                                          indolyl carboxylic acid 3451
                                            LSM-31515 0
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