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theonellamide A


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  • Norine ID: NOR00565
  • Family: theonellamide
  • Synonym(s): theonellamide A;
  • Activity: toxin
  • Class: glycopeptide
  • Formula: C76H99BrN16O28
  • Monoisotopic mass: 1762.599809664 g/mol
  • Comment: Theonellamides 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:
    • status: putative
    • last modification date: 2018-12-01 by Emma Ricart Altimiras [Swiss Institute of Bioinformatics, SIB]
    • view all entry history
  • Type: double cyclic
  • Number of monomers: 13
  • Smiles: C[C@H]([C@H]1C(=O)NC[C@@H](C(=O)N[C@@H](C[C@H](CC(=O)N[C@H]2CC3=CN(C[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@H](C(=O)N)O)CC(=O)N)NC(=O)[C@@H](NC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@H](C)O)CO)CC4=CC=CC=C4)[C@H](/C=C(\C)/C=C/C5=CC=CC=C5)O)CO)C=[N+]3[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)C(=O)[O-])O)C7=CC=C(C=C7)Br

  • Graph inference:



  • Monomeric composition :
    1
    Ser
    2
    C8:2(5.7)-Me(6)-OH(4)-NH2(3)-Ph(8)
    3
    Phe
    4
    Ser
    5
    aThr
    6
    His
    7
    Ahad
    8
    Iser
    9
    bMe-Br-Phe
    10
    OH-Asn
    11
    Asn
    12
    Ala
    13
    bD-Gal
  • Graph representation: Ser,C8:2(5.7)-Me(6)-OH(4)-NH2(3)-Ph(8),Phe,Ser,aThr,His,Ahad,Iser,bMe-Br-Phe,OH-Asn,Asn,Ala,bD-Gal @11,1 @0,2 @1,3 @2,4 @3,5 @4,6,11,12 @5,7 @6,8 @7,9 @8,10 @9,11 @0,10,5 @5

  • Atomic structure:
    Chemical structure
  • Theonella sp.
  • gram:
  • synonyms:
  • taxid: 73791 (view NCBI taxonomy browser)

  • Links between organisms producing the theonellamide A: Theonella sp.
  • Theonellamides A-E, cytotoxic bicyclic peptides, from a marine sponge Theonella sp.
    Matsunaga S, Fusetani N, Journal of Organic Chemistry , 1995, 60 (5), pp. 1177-1181


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