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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:leuprolide acetate
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Accession:CHEBI:63597 term browser browse the term
Definition:An acetate salt obtained by combining the nonapeptide leuprolide with acetic acid. A long lasting GnRH analog, LH-Rh agonist. It is a synthetic nonapeptide analogue of gonadotropin-releasing hormone, and is used as a subcutaneous hydrogel implant for the treatment of prostate cancer and for the suppression of gonadal sex hormone production in children with central precocious puberty.
Synonyms:exact_synonym: 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-leucyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide--acetic acid (1/1)
 related_synonym: 5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tryosyl-D-leucyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide monoacetate;   Enantone;   Formula=C61H88N16O14;   InChI=1S/C59H84N16O12.C2H4O2/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40;1-2(3)4/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64);1H3,(H,3,4)/t40-,41-,42-,43+,44-,45-,46-,47-,48-;/m0./s1;   InChIKey=RGLRXNKKBLIBQS-XNHQSDQCSA-N;   Leuprorelin acetate;   Lupron;   Lutrate;   Pyr-His-Trp-Ser-Tyr-D-Leu-Leu-Arg-Pro-NHEt.HOAc;   SMILES=CC(O)=O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1
 alt_id: CHEBI:6428
 xref: CAS:74381-53-6;   DrugBank:DB00007;   KEGG:D00989;   PMID:21239017;   PMID:21276459;   PMID:21324455;   PMID:21564386;   PMID:21790701;   PMID:21801354;   PMID:21847353;   PMID:21860633;   PMID:21864378;   PMID:22025196;   PMID:22050405;   PMID:22133574;   PMID:22136615;   Reaxys:5570787;   Wikipedia:Leuprorelin



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19832
    role 19808
      application 19651
        pharmaceutical 19492
          drug 19492
            antineoplastic agent 17760
              leuprolide acetate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19832
    subatomic particle 19830
      composite particle 19830
        hadron 19830
          baryon 19830
            nucleon 19830
              atomic nucleus 19830
                atom 19830
                  main group element atom 19780
                    p-block element atom 19780
                      carbon group element atom 19729
                        carbon atom 19725
                          organic molecular entity 19725
                            heteroorganic entity 19479
                              organochalcogen compound 19242
                                organooxygen compound 19157
                                  carbon oxoacid 18615
                                    carboxylic acid 18612
                                      carboacyl group 17703
                                        univalent carboacyl group 17703
                                          carbamoyl group 17553
                                            carboxamide 17553
                                              peptide 11127
                                                oligopeptide 1337
                                                  leuprolide 22
                                                    leuprolide acetate 0
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