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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:ergotamine
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Accession:CHEBI:64318 term browser browse the term
Definition:A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10.
Synonyms:exact_synonym: (5'alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman
 related_synonym: (5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione;   12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione;   Ergotamin;   Formula=C33H35N5O5;   Gynergen;   InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1;   InChIKey=XCGSFFUVFURLIX-VFGNJEKYSA-N;   SMILES=[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O;   ergotamina;   ergotaminum
 xref: Beilstein:78890;   CAS:113-15-5;   Chemspider:7930;   DrugBank:DB00696;   Drug_Central:1043;   HMDB:HMDB0014834;   KEGG:C07544;   KEGG:D07906;   KNApSAcK:C00001724
 xref_mesh: MESH:D004878
 xref: PDBeChem:ERM;   PMID:10560569;   PMID:10611116;   PMID:11386387;   PMID:12463275;   PMID:12525272;   PMID:12558771;   PMID:21181611;   PMID:21512122;   PMID:21878097;   PMID:21879189;   PMID:22347148;   PMID:22414189;   PMID:22417229;   PMID:22441761;   PMID:22444161;   PMID:22446707;   PMID:23243949;   PMID:23519210;   PMID:23519215;   PMID:24035295;   PMID:28716900;   PMID:29168165;   PMID:29398112;   PMID:31570294;   PMID:32310413;   PMID:8825693;   PMID:9009470;   PMID:9032799;   Reaxys:78890;   Wikipedia:Ergotamine
 cyclic_relationship: is_conjugate_base_of CHEBI:190463


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ergotamine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Calca calcitonin-related polypeptide alpha multiple interactions EXP Ergotamine inhibits the reaction [Nitroglycerin results in increased expression of CALCA protein] CTD PMID:19121572 NCBI chr 1:168,878,212...168,883,176
Ensembl chr 1:168,878,214...168,883,105 		JBrowse link
G Casp3 caspase 3 increases activity ISO Ergotamine results in increased activity of CASP3 protein CTD PMID:21295106 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648 		JBrowse link
G Fos Fos proto-oncogene, AP-1 transcription factor subunit multiple interactions EXP Ergotamine inhibits the reaction [Nitroglycerin results in increased expression of FOS protein] CTD PMID:19121572 NCBI chr 6:105,121,170...105,124,036
Ensembl chr 6:105,121,170...105,124,036 		JBrowse link
G Gstp1 glutathione S-transferase pi 1 multiple interactions ISO Ergotamine inhibits the reaction [GSTP1 protein results in increased metabolism of 1-chloro-2,4-dinitrobenzene-glutathione conjugate] CTD PMID:23769903 NCBI chr 1:201,337,762...201,340,230
Ensembl chr 1:201,321,672...201,340,226 		JBrowse link
G Htr2b 5-hydroxytryptamine receptor 2B multiple interactions ISO Ergotamine binds to and results in increased activity of HTR2B protein CTD PMID:11104741 NCBI chr 9:86,735,793...86,756,638
Ensembl chr 9:86,742,102...86,755,108 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      biological role 19785
        poison 18589
          toxin 15966
            mycotoxin 12009
              ergotamine 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organonitrogen compound 18783
                                alkaloid 7817
                                  indole alkaloid 1944
                                    terpenoid indole alkaloid 1498
                                      hemiterpenoid indole alkaloid 28
                                        ergot alkaloid 28
                                          peptide ergot alkaloid 5
                                            ergotamine 5
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