• Norine ID: NOR00669
• DOI: 10.26097/nor00669
• Family: polytheonamide
• Synonym(s): polytheonamide B;
• Activity: antitumor
• Class: peptide
• Formula: C219H376N60O72S
• Monoisotopic mass: 5033.7524 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]
• Status: deprecated (previous status in Norine database: curated )
• Date of removal: 2021-11-01 by vleclere
• Reason:

• 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:


  Run Smiles2Monomers |   Run rBAN



• 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:

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

  2rqo

  2rqo

  2rqo