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phakellistatin 3


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  • Norine ID: NOR00525
  • DOI: 10.26097/nor00525
  • Family: phakellistatin
  • Synonym(s): phakellistatin 3;
  • Activity: antitumor
  • Category: peptide
  • Formula: C42H54N8O9
  • Monoisotopic mass: 814.4013753659999 g/mol
  • Comment: Phakellistatins are putative NRPS products (no synthetase genes identified)
  • 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:
  • Type: cyclic
  • Number of monomers: 7
  • Smiles: C[C@H]([C@H]1C(=O)N[C@H](C(=O)N2[C@@H](C[C@]3([C@@H]2NC4=CC=CC=C43)O)C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)NCC(=O)N6CCC[C@H]6C(=O)N1)CC7=CC=CC=C7)CC(C)C)O

  • Graph inference:



  • Monomeric composition :
    1
    Pro
    2
    Phe
    3
    Gly
    4
    Pro
    5
    Thr
    6
    Leu
    7
    pTrp
  • Graph representation: Pro,Phe,Gly,Pro,Thr,Leu,pTrp @1,6 @0,2 @1,3 @2,4 @3,5 @4,6 @0,5

  • Atomic structure:
    • Chemical structure
    rBAN vizualisation:
  • Phakellia sp.

  • Links between organisms producing the phakellistatin 3: Phakellia sp.
  • Antineoplastic agents. 277. Isolation and structure of phakellistatin 3 and isophakellistatin 3 from a Republic of Comoros marine sponge
    Pettit GR, Cerny RL, Herald DL, Williams MD, Tan R, Journal of Organic Chemistry , 1994, 59 (7), pp. 1593-1595


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