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polytheonamide B


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  • Norine ID: NOR00669
  • DOI: 10.26097/nor00669
  • Family: polytheonamide
  • Synonym(s): polytheonamide B;
  • Activity: antitumor
  • Class: peptide
  • Formula: C219H376N60O72S
  • Monoisotopic mass: 5030.7325758160005 g/mol
  • Comment: Polytheonamides are by far the largest nonribosomal peptides. Two variants (A and C) exist and are isomeric.
  • 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: linear
  • Number of monomers: 49
  • Smiles: CCC(C)C(NC(=O)C(CC(=O)NC)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)NC)NC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)NC)NC(=O)C(NC(=O)CNC(=O)C(C)NC(=O)CNC(=O)C(NC(=O)C(CC(=O)NC)NC(=O)C(C)NC(=O)C(NC(=O)C(C)NC(=O)CNC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(=O)CCC(C)(C)C)C(C)(C)CC)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)O)C(C)(C)C)C(C)CC(N)=O)C(C)(C)O)C(C)CC)C(O)C(=O)NC)C(C)(C)C)C(C)(C)O)C(=O)NC(CC(=O)NC)C(=O)NC(C(C)C)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)NC)C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)O)C(C)(C)CS(C)=O)C(O)C(=O)NC

  • Graph inference:



  • Monomeric composition :
    1
    C6:0-Me(5.5)-oxo(2)
    2
    Gly
    3
    bMe-Ile
    4
    Gly
    5
    t-Leu
    6
    D-t-Leu
    7
    t-Leu
    8
    D-Ala
    9
    D-t-Leu
    10
    t-Leu
    11
    D-Ala
    12
    Gly
    13
    Ala
    14
    D-t-Leu
    15
    Ala
    16
    D-N2Me-Asn
    17
    bOH-Val
    18
    Gly
    19
    Ala
    20
    Gly
    21
    t-Leu
    22
    D-N2Me-Asn
    23
    bMe-Gln
    24
    D-bOH-Val
    25
    Ala
    26
    Gly
    27
    Gly
    28
    D-N2Me-Asn
    29
    Ile
    30
    D-N2Me-bOH-Asn
    31
    t-Leu
    32
    D-bOH-Val
    33
    Gly
    34
    D-N2Me-Asn
    35
    Ile
    36
    D-N2Me-Asn
    37
    Val
    38
    D-N2Me-bOH-Asn
    39
    Ala
    40
    D-N2Me-Asn
    41
    Val
    42
    D-Ser
    43
    Val
    44
    D-Asn
    45
    bbMe2-O-Met
    46
    D-Asn
    47
    Gln
    48
    D-aThr
    49
    Thr
  • Graph representation: C6:0-Me(5.5)-oxo(2),Gly,bMe-Ile,Gly,t-Leu,D-t-Leu,t-Leu,D-Ala,D-t-Leu,t-Leu,D-Ala,Gly,Ala,D-t-Leu,Ala,D-N2Me-Asn,bOH-Val,Gly,Ala,Gly,t-Leu,D-N2Me-Asn,bMe-Gln,D-bOH-Val,Ala,Gly,Gly,D-N2Me-Asn,Ile,D-N2Me-bOH-Asn,t-Leu,D-bOH-Val,Gly,D-N2Me-Asn,Ile,D-N2Me-Asn,Val,D-N2Me-bOH-Asn,Ala,D-N2Me-Asn,Val,D-Ser,Val,D-Asn,bbMe2-O-Met,D-Asn,Gln,D-aThr,Thr @1 @0,2 @1,3 @2,4 @3,5 @4,6 @5,7 @6,8 @7,9 @8,10 @9,11 @10,12 @11,13 @12,14 @13,15 @14,16 @15,17 @16,18 @17,19 @18,20 @19,21 @20,22 @21,23 @22,24 @23,25 @24,26 @25,27 @26,28 @27,29 @28,30 @29,31 @30,32 @31,33 @32,34 @33,35 @34,36 @35,37 @36,38 @37,39 @38,40 @39,41 @40,42 @41,43 @42,44 @43,45 @44,46 @45,47 @46,48 @47

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

  • Links between organisms producing the polytheonamide B: Theonella swinhoei
  • Polytheonamides A and B, highly cytotoxic, linear polypeptides with unprecedented structural features, from the marine sponge, Theonella swinhoei
    Matsunaga S, Fusetani N, Hamada T, Yano G, Journal of the American Chemical Society , 2005, Jan 12,127(1):110-8.
    DOI: 10.1021/ja045749e
    pubMed: 15631460


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