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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 26447
    chemical entity 26427
      molecular entity 26408
        ion 19896
          anion 19237
            organic anion 7406
              organic phosphoramidate anion 0
                fosaprepitant(2-) 0
                  fosaprepitant dimeglumine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26447
    subatomic particle 26412
      composite particle 26412
        hadron 26423
          baryon 26412
            nucleon 26423
              atomic nucleus 26412
                atom 26412
                  main group element atom 26169
                    p-block element atom 26169
                      p-block molecular entity 26164
                        carbon group molecular entity 25605
                          organic molecular entity 25557
                            organic ion 12215
                              organic anion 7406
                                organic phosphoramidate anion 0
                                  fosaprepitant(2-) 0
                                    fosaprepitant dimeglumine 0
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