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dehydrodidemnin B


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  • Norine ID: NOR00373
  • Family: didemnin
  • Synonym(s): dehydrodidemnin B;
  • Activity: antibiotic, antitumor, immunomodulating
  • Class: peptide
  • Formula: C57H87N7O15
  • Monoisotopic mass: 1109.626015149 g/mol
  • Comment: Aplidine is a compound found in tunicates which shows promise in shrinking tumors in pancreatic, stomach, bladder, and prostate cancers.
  • Source: norine
  • Contributor (creation): Norine Team [CRIStAL (UMR CNRS 9189), ex-LIFL, France, Charles Viollette Institute, ProBioGEM team, Lille, France, University of Lille, France]
  • Entry information:
    • status: curated
    • last modification date: 2018-12-01 by Emma Ricart Altimiras [Swiss Institute of Bioinformatics, SIB]
    • view all entry history
  • Type: partial cyclic
  • Number of monomers: 9
  • Smiles: CCC(C)C3NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C1CCCN1(C(=O)C(C)=O))C(C)OC(=O)C(Cc2ccc(cc2)OC)N(C)C(=O)C4CCCN4(C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(OC(=O)CC3(O))C(C)C)

  • Graph inference:



  • Monomeric composition :
    1
    Ist
    2
    Hip
    3
    Leu
    4
    Pro
    5
    NMe-OMe-Tyr
    6
    Thr
    7
    D-NMe-Leu
    8
    Pro
    9
    Pya
  • Graph representation: Ist,Hip,Leu,Pro,NMe-OMe-Tyr,Thr,D-NMe-Leu,Pro,Pya @1,5 @0,2 @1,3 @2,4 @3,5 @0,4,6 @5,7 @6,8 @7

  • Atomic structure:
    Chemical structure
  • Aplidium albicans

  • Links between organisms producing the dehydrodidemnin B: Aplidium albicans
  • Analysis of conformational equilibria in aplidine using selective excitation 2D NMR spectroscopy and molecular mechanics/dynamics calculations
    Cardenas F, Caba JM, Feliz M, Lloyd-Williams P, Giralt E, The Journal of organic chemistry , 2003, Dec 12,68(25):9554-62.
    DOI: 10.1021/jo034798r
    pubMed: 14656079
  • Natural products as probes of cell biology: 20 years of didemnin research
    Vera MD, Joullie MM, Medicinal research reviews , 2002, Mar,22(2):102-45.
    pubMed: 11857636


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