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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:octreotide
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Accession:CHEBI:7726 term browser browse the term
Definition:A homodetic cyclic peptide that has formula C49H66N10O10S2.
Synonyms:related_synonym: D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-L-threoninol cyclic (2-7)-disulfide;   D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-L-cysteinamide cyclic (2->7)-disulfide;   Formula=C49H66N10O10S2;   Formula=C49H66N10O10S2.2C2H4O2;   InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39?,40+,41+,42+/m1/s1;   InChIKey=DEQANNDTNATYII-FLDZURHUSA-N;   Longastatin;   SMILES=[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)NC(CO)[C@@H](C)O)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O;   SMS-201-995;   octreotida;   octreotide acetate;   octreotidum;   sandostatine
 xref: Beilstein:7246145;   CAS:83150-76-9;   DrugBank:DB00104;   Drug_Central:1980;   HMDB:HMDB0014262;   KEGG:C07306;   KEGG:D00442
 xref_mesh: MESH:D015282
 xref: PDB:1SOC;   Patent:EP29579;   Patent:US4395403;   Wikipedia:Octreotide


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5178
    role 5145
      biological role 5145
        pharmacological role 649
          agonist 518
            hormone agonist 21
              octreotide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5178
    subatomic particle 5169
      composite particle 5169
        hadron 5169
          baryon 5169
            nucleon 5169
              atomic nucleus 5169
                atom 5169
                  main group element atom 5141
                    p-block element atom 5138
                      carbon group element atom 5057
                        carbon atom 5056
                          organic molecular entity 5056
                            heteroorganic entity 4900
                              organochalcogen compound 4854
                                organooxygen compound 4817
                                  carbon oxoacid 398
                                    carboxylic acid 393
                                      carboacyl group 214
                                        univalent carboacyl group 214
                                          carbamoyl group 211
                                            carboxamide 211
                                              peptide 55
                                                cyclic peptide 17
                                                  homodetic cyclic peptide 10
                                                    octreotide 0
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