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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 tromethamine
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Accession:CHEBI:3404 term browser browse the term
Definition:The tromethamine salt of carboprost. It is used as an abortifacient agent that is effective in both the first and second trimesters of pregnancy.
Synonyms:exact_synonym: (5Z,9alpha,11beta,13E,15S)-9,11,15-trihydroxy-15-methylprosta-5,13-dien-1-oic acid - 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:1)
 related_synonym: (15S)-15-methyl-PGF2alpha tromethamine salt;   (15S)-15-methylprostaglandin F2alpha tromethamine;   1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium (5Z,9alpha,11beta,13E,15S)-9,11,15-trihydroxy-15-methylprosta-5,13-dien-1-oate;   15(S)-15-methyl-PGF2alpha tromethamine salt;   15(S)-15-methylprostaglandin F2alpha tromethamine;   Formula=C25H47NO8;   InChI=1S/C21H36O5.C4H11NO3/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;5-4(1-6,2-7)3-8/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25);6-8H,1-3,5H2/b7-5-,14-12+;/t16-,17-,18+,19+,21+;/m1./s1;   InChIKey=UMMADZJLZAPZAW-OVXHCKHTSA-N;   SMILES=[NH3+]C(CO)(CO)CO.CCCCC[C@](C)(O)\\C=C\\[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C\\C=C/CCCC([O-])=O;   carboprost trometamol
 xref: CAS:58551-69-2;   DrugBank:DB00429;   KEGG:D00682


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  CHEBI ontology 22280
    role 22262
      chemical role 21475
        buffer 53
          Htris 12
            carboprost tromethamine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22280
    subatomic particle 22273
      composite particle 22273
        hadron 22273
          baryon 22273
            nucleon 22273
              atomic nucleus 22273
                atom 22273
                  main group element atom 22150
                    main group molecular entity 22150
                      s-block molecular entity 21707
                        hydrogen molecular entity 21649
                          hydrides 20785
                            inorganic hydride 18721
                              pnictogen hydride 18700
                                nitrogen hydride 18575
                                  ammonium 8219
                                    ammonium ion derivative 8206
                                      ammonium compound 4992
                                        organoammonium salt 697
                                          carboprost tromethamine 0
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