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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 501
    chemical entity 501
      molecular entity 496
        ion 34
          anion 29
            organic anion 10
              organic phosphoramidate anion 0
                fosaprepitant(2-) 0
                  fosaprepitant dimeglumine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 501
    subatomic particle 501
      composite particle 501
        hadron 496
          baryon 496
            nucleon 501
              atomic nucleus 496
                atom 501
                  main group element atom 494
                    p-block element atom 494
                      p-block molecular entity 489
                        carbon group molecular entity 478
                          organic molecular entity 482
                            organic ion 21
                              organic anion 10
                                organic phosphoramidate anion 0
                                  fosaprepitant(2-) 0
                                    fosaprepitant dimeglumine 0
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