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ONTOLOGY REPORT - ANNOTATIONS


Term:cetrorelix
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Accession:CHEBI:59224 term browser browse the term
Definition:A synthetic ten-membered oligopeptide comprising N-acetyl-3-(naphthalen-2-yl)-D-alanyl, 4-chloro-D-phenylalanyl, 3-(pyridin-3-yl)-D-alanyl, L-seryl, L-tyrosyl, N(5)-carbamoyl-D-ornithyl, L-leucyl, L-arginyl, L-prolyl, and D-alaninamide residues coupled in sequence. A gonadotrophin-releasing hormone (GnRH) antagonist, it is used for treatment of infertility and of hormone-sensitive cancers of the prostate and breast.
Synonyms:exact_synonym: N-acetyl-3-(naphthalen-2-yl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-L-tyrosyl-N(5)-carbamoyl-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide
 related_synonym: Formula=C70H92ClN17O14;   InChI=1S/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1;   InChIKey=SBNPWPIBESPSIF-MHWMIDJBSA-N;   SMILES=CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O;   cetrorelixum
 xref: Beilstein:5860649 "Beilstein";   CAS:120287-85-6 "ChemIDplus";   DrugBank:DB00050;   Drug_Central:583 "DrugCentral";   KEGG:D07665
 xref_mesh: MESH:C062876
 xref: Patent:EP299402;   Patent:US4800191;   Wikipedia:Cetrorelix


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cetrorelix term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Abcb11 ATP binding cassette subfamily B member 11 JBrowse link 3 55,480,024 55,587,946 RGD:6480464
G Apoe apolipoprotein E JBrowse link 1 80,612,894 80,616,820 RGD:6480464
G Bax BCL2 associated X, apoptosis regulator JBrowse link 1 101,451,801 101,457,207 RGD:6480464
G Bcl2 BCL2, apoptosis regulator JBrowse link 13 26,605,426 26,769,374 RGD:6480464
G Bcl2l1 Bcl2-like 1 JBrowse link 3 148,259,594 148,314,191 RGD:6480464
G Casp3 caspase 3 JBrowse link 16 48,845,011 48,863,249 RGD:6480464
G Casp9 caspase 9 JBrowse link 5 160,356,211 160,373,774 RGD:6480464
G Ccn5 cellular communication network factor 5 JBrowse link 3 160,207,969 160,219,316 RGD:6480464
G Cdkn1a cyclin-dependent kinase inhibitor 1A JBrowse link 20 6,348,422 6,358,864 RGD:6480464
G Chga chromogranin A JBrowse link 6 126,434,226 126,445,569 RGD:6480464
G Clcf1 cardiotrophin-like cytokine factor 1 JBrowse link 1 219,468,866 219,472,445 RGD:6480464
G Cst9l cystatin 9-like JBrowse link 3 143,172,691 143,175,504 RGD:6480464
G Cxcl12 C-X-C motif chemokine ligand 12 JBrowse link 4 149,261,044 149,273,891 RGD:6480464
G Cyb5a cytochrome b5 type A JBrowse link 18 81,694,818 81,726,821 RGD:6480464
G Cyp11a1 cytochrome P450, family 11, subfamily a, polypeptide 1 JBrowse link 8 62,798,317 62,809,848 RGD:6480464
G Cyp17a1 cytochrome P450, family 17, subfamily a, polypeptide 1 JBrowse link 1 266,422,127 266,429,947 RGD:6480464
G Ddr1 discoidin domain receptor tyrosine kinase 1 JBrowse link 20 3,553,430 3,574,959 RGD:6480464
G Dhcr24 24-dehydrocholesterol reductase JBrowse link 5 126,164,708 126,188,926 RGD:6480464
G Dpep3 dipeptidase 3 JBrowse link 19 37,946,516 37,955,199 RGD:6480464
G Fas Fas cell surface death receptor JBrowse link 1 252,589,785 252,624,790 RGD:6480464
G Fshb follicle stimulating hormone subunit beta JBrowse link 3 98,088,321 98,092,131 RGD:6480464
G Gsta2 glutathione S-transferase alpha 2 JBrowse link 8 85,640,081 85,645,621 RGD:6480464
G Hcrtr1 hypocretin receptor 1 JBrowse link 5 148,346,029 148,355,404 RGD:6480464
G Hcrtr2 hypocretin receptor 2 JBrowse link 8 83,307,684 83,421,612 RGD:6480464
G Hmgcs2 3-hydroxy-3-methylglutaryl-CoA synthase 2 JBrowse link 2 200,452,623 200,480,785 RGD:6480464
G Hsd17b6 hydroxysteroid (17-beta) dehydrogenase 6 JBrowse link 7 2,412,370 2,431,249 RGD:6480464
G Igf1 insulin-like growth factor 1 JBrowse link 7 28,412,123 28,491,815 RGD:6480464
G Il6 interleukin 6 JBrowse link 4 3,043,231 3,047,807 RGD:6480464
G Insl3 insulin-like 3 JBrowse link 16 20,120,753 20,122,702 RGD:6480464
G Lhb luteinizing hormone subunit beta JBrowse link 1 101,409,992 101,413,725 RGD:6480464
G Mapk1 mitogen activated protein kinase 1 JBrowse link 11 88,203,863 88,273,301 RGD:6480464
G Mapk3 mitogen activated protein kinase 3 JBrowse link 1 198,192,773 198,198,975 RGD:6480464
G Msmo1 methylsterol monooxygenase 1 JBrowse link 16 26,859,441 26,875,880 RGD:6480464
G Papss2 3'-phosphoadenosine 5'-phosphosulfate synthase 2 JBrowse link 1 251,145,264 251,230,716 RGD:6480464
G Pgrmc1 progesterone receptor membrane component 1 JBrowse link X 123,205,869 123,213,880 RGD:6480464
G Prl prolactin JBrowse link 17 39,814,236 39,824,299 RGD:6480464
G Prok1 prokineticin 1 JBrowse link 2 209,986,503 209,994,438 RGD:6480464
G Prps2 phosphoribosyl pyrophosphate synthetase 2 JBrowse link X 28,435,275 28,472,882 RGD:6480464
G Rela RELA proto-oncogene, NF-kB subunit JBrowse link 1 220,992,770 221,003,249 RGD:6480464
G Rhob ras homolog family member B JBrowse link 6 33,689,127 33,691,301 RGD:6480464
G Star steroidogenic acute regulatory protein JBrowse link 16 71,036,204 71,040,847 RGD:6480464
G Stat3 signal transducer and activator of transcription 3 JBrowse link 10 88,790,401 88,842,263 RGD:6480464
G Sycp1 synaptonemal complex protein 1 JBrowse link 2 205,274,766 205,426,869 RGD:6480464
G Taf4b TATA-box binding protein associated factor 4b JBrowse link 18 6,206,939 6,338,794 RGD:6480464
G Tex19.2 testis expressed gene 19.2 JBrowse link 10 110,305,926 110,308,514 RGD:6480464
G Tgfb1 transforming growth factor, beta 1 JBrowse link 1 82,480,875 82,497,196 RGD:6480464
G Tnfsf13 TNF superfamily member 13 JBrowse link 10 56,286,964 56,290,680 RGD:6480464
G Tp53 tumor protein p53 JBrowse link 10 56,186,299 56,198,449 RGD:6480464
G Vegfa vascular endothelial growth factor A JBrowse link 9 17,340,341 17,355,681 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19662
    role 19606
      application 19232
        pharmaceutical 19094
          drug 19094
            antineoplastic agent 16568
              cetrorelix 49
                cetrorelix acetate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19662
    subatomic particle 19658
      composite particle 19658
        hadron 19658
          baryon 19658
            nucleon 19658
              atomic nucleus 19658
                atom 19658
                  main group element atom 19539
                    p-block element atom 19539
                      carbon group element atom 19422
                        carbon atom 19414
                          organic molecular entity 19414
                            organic group 18340
                              organic divalent group 18330
                                organodiyl group 18330
                                  carbonyl group 18217
                                    carbonyl compound 18217
                                      carboxylic acid 17921
                                        carboacyl group 16944
                                          univalent carboacyl group 16944
                                            carbamoyl group 16623
                                              carboxamide 16623
                                                peptide 9295
                                                  oligopeptide 1073
                                                    cetrorelix 49
                                                      cetrorelix acetate 0
paths to the root

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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.