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theonellapeptolide Id


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  • Norine ID: NOR00498
  • DOI: 10.26097/nor00498
  • Family: theonellapeptolide
  • Synonym(s): theonellapeptolide Id;
  • Activity: toxin
  • Category: peptide
  • Formula: C70H125N13O16
  • Monoisotopic mass: 1403.9367250169998 g/mol
  • 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: partial cyclic
  • Number of monomers: 13
  • Smiles: CC[C@H](C)[C@H]1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@H]([C@@H](C(=O)NCCC(=O)N[C@H](C(=O)N([C@@H](C(=O)NCCC(=O)N1)[C@@H](C)CC)C)CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)COC)C)[C@@H](C)CC)C)CC(C)C)C)C)C(C)C)C

  • Graph inference:



  • Monomeric composition :
    1
    NOMe-Ac-Val
    2
    D-NMe-Leu
    3
    Thr
    4
    bAla
    5
    D-Leu
    6
    NMe-Ile
    7
    bAla
    8
    D-aIle
    9
    NMe-Val
    10
    NMe-Ala
    11
    bAla
    12
    D-Leu
    13
    D-NMe-aIle
  • Graph representation: NOMe-Ac-Val,D-NMe-Leu,Thr,bAla,D-Leu,NMe-Ile,bAla,D-aIle,NMe-Val,NMe-Ala,bAla,D-Leu,D-NMe-aIle @1 @0,2 @1,3,12 @2,4 @3,5 @4,6 @5,7 @6,8 @7,9 @8,10 @9,11 @10,12 @2,11

  • Atomic structure:
    • Chemical structure
    rBAN vizualisation:
  • Theonella swinhoei
  • taxid: 37505 (view NCBI taxonomy browser)

  • Links between organisms producing the theonellapeptolide Id: Theonella swinhoei
  • The highly solvated structure of theonellapeptolide Id, a tridecapeptide lactone from the Okinawa marine sponge Theonella swinhoei
    Doi M, Ishida T, Kobayashi M, Deschamps JR, Flippen-Anderson JL, Acta crystallographica. Section C, Crystal structure communications , 1999, 55 (5), pp. 796-798


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