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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:flotufolastat F-18 gallium
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Accession:CHEBI:229675 term browser browse the term
Definition:An (18)F radiopharmaceutical which is used as a radioactive diagnostic agent for positron emission tomography (PET) of prostate-specific membrane antigen positive lesions in men with prostate cancer.
Synonyms:exact_synonym: gallium hydrogen (3S,7S,12R,26R)-26-{[N-{(4S)-4-carboxylato-4-[4,7,10-tris(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-yl]butanoyl}-3-(4-{di-tert-butyl[((18)F)fluoro]silyl}benzamido)-D-alanyl]amino}-5,10,17,20-tetraoxo-4,6,11,16,21-pentaazahexacosane-1,3,7,12,26-pentacarboxylate (1:6:1)
 related_synonym: Formula=C63H90[18F]N12O25Si.Ga.H.H.H.H.H.H;   InChI=1S/C63H99FN12O25Si.Ga/c1-62(2,3)102(64,63(4,5)6)39-14-12-38(13-15-39)54(89)67-34-44(69-49(80)20-18-45(60(99)100)76-32-30-74(36-52(85)86)28-26-73(35-51(83)84)27-29-75(31-33-76)37-53(87)88)55(90)70-41(57(93)94)10-7-8-24-65-46(77)21-22-47(78)66-25-9-11-40(56(91)92)68-48(79)19-16-42(58(95)96)71-61(101)72-43(59(97)98)17-23-50(81)82;/h12-15,40-45H,7-11,16-37H2,1-6H3,(H,65,77)(H,66,78)(H,67,89)(H,68,79)(H,69,80)(H,70,90)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H2,71,72,101);/q;+3/p-3/t40-,41-,42+,43+,44-,45+;/m1./s1/i64-1;;   InChIKey=OJPQWJNFDOFXTN-WRFPGERRSA-K;   Posluma;   SMILES=[H+].[H+].[H+].[H+].[H+].[H+].[Ga+3].CC(C)(C)[Si]([18F])(C1=CC=C(C=C1)C(=O)NC[C@@H](NC(=O)CC[C@H](N1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1)C([O-])=O)C(=O)N[C@H](CCCCNC(=O)CCC(=O)NCCC[C@@H](NC(=O)CC[C@H](NC(=O)N[C@@H](CCC([O-])=O)C([O-])=O)C([O-])=O)C([O-])=O)C([O-])=O)C(C)(C)C;   flotufolastat F18 gallium
 xref: CAS:2305081-64-3;   KEGG:D12606;   PMID:37439946


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Term Annotations click to browse term
  CHEBI ontology 19909
    chemical entity 19907
      molecular entity 19906
        isotopically modified compound 15
          (18)F radiopharmaceutical 1
            flotufolastat F-18 gallium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19909
    subatomic particle 19907
      composite particle 19907
        hadron 19907
          baryon 19907
            nucleon 19907
              atomic nucleus 19907
                atom 19907
                  main group element atom 19846
                    main group molecular entity 19846
                      p-block molecular entity 19846
                        chalcogen molecular entity 19601
                          oxygen molecular entity 19572
                            oxide 12895
                              oxoanion 10481
                                carboxylic acid anion 2501
                                  nonacarboxylic acid anion 0
                                    flotufolastat F-18(9-) 0
                                      flotufolastat F-18 gallium 0
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