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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:fosaprepitant(2-)
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Accession:CHEBI:64322 term browser browse the term
Definition:An organic phosphoramidate anion obtained by deprotonation of the two phosphoramide OH groups of fosaprepitant.
Synonyms:exact_synonym: (3-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonate
 related_synonym: Formula=C23H20F7N4O6P;   InChI=1S/C23H22F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38)/p-2/t12-,19+,20-/m1/s1;   InChIKey=BARDROPHSZEBKC-OITMNORJSA-L;   SMILES=C[C@@H](O[C@H]1OCCN(Cc2nn(c(=O)[nH]2)P([O-])([O-])=O)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F;   fosaprepitant dianion
 cyclic_relationship: is_conjugate_base_of CHEBI:64321


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19917
    chemical entity 19915
      molecular entity 19915
        ion 17079
          anion 16643
            organic anion 6851
              organic phosphoramidate anion 0
                fosaprepitant(2-) 0
                  fosaprepitant dimeglumine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19917
    subatomic particle 19915
      composite particle 19915
        hadron 19915
          baryon 19915
            nucleon 19915
              atomic nucleus 19915
                atom 19915
                  main group element atom 19855
                    p-block element atom 19855
                      p-block molecular entity 19855
                        carbon group molecular entity 19794
                          organic molecular entity 19790
                            organic ion 11450
                              organic anion 6851
                                organic phosphoramidate anion 0
                                  fosaprepitant(2-) 0
                                    fosaprepitant dimeglumine 0
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