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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:carboprost
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Accession:CHEBI:3403 term browser browse the term
Definition:Prostaglandin F2alpha in which the hydrogen at position 15 is substituted by methyl (S configuration). It is used as an abortifacient agent that is effective in both the first and second trimesters of pregnancy.
Synonyms:exact_synonym: (5Z,13E,15S)-9alpha,11alpha,15-trihydroxy-15-methylprosta-5,13-dien-1-oic acid
 related_synonym: (15S)-15-methyl-PGF2alpha;   (15S)-15-methylprostaglandin F2alpha;   15(S)-15-methyl-PGF2alpha;   15(S)-15-methylprostaglandin F2alpha;   Formula=C21H36O5;   InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1;   InChIKey=DLJKPYFALUEJCK-IIELGFQLSA-N;   SMILES=CCCCC[C@](C)(O)\\C=C\\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\\C=C/CCCC(O)=O;   carboprostum
 xref: Beilstein:2949991;   CAS:35700-23-3;   Chemspider:4444532;   DrugBank:DB00429;   Drug_Central:502;   KEGG:C06872;   KEGG:D02343;   PMID:15104835;   PMID:17267874;   PMID:17692579;   PMID:24348762;   PMID:25643261;   PMID:25822922;   PMID:26149245;   PMID:26622459;   PMID:27651609;   PMID:28526143;   PMID:30293295;   PMID:32695003;   Patent:DE2121980;   Patent:US3728382;   Wikipedia:Carboprost
 cyclic_relationship: is_conjugate_acid_of CHEBI:59205


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Term Annotations click to browse term
  CHEBI ontology 19808
    role 19784
      application 19627
        pharmaceutical 19468
          drug 19468
            oxytocic 249
              carboprost 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            heteroorganic entity 19460
                              organochalcogen compound 19224
                                organooxygen compound 19141
                                  carbon oxoacid 18612
                                    carboxylic acid 18609
                                      monocarboxylic acid 17984
                                        fatty acid 16792
                                          fatty acid derivative 8960
                                            icosanoid 470
                                              prostanoid 406
                                                prostaglandin 399
                                                  prostaglandins F 102
                                                    prostaglandins Falpha 101
                                                      prostaglandin F2alpha 87
                                                        carboprost 0
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