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Aselacin a

  • Formula: C46H68N8O11

  • Molecular weight: 909.10

  • Smiles: CCCCCC=CC=CC(CCCCCCCC(=O)NC(CCC(=O)N)C(=O)NC1C(OC(=O)CNC(=O)C(NC(=O)C(NC(=O)CCNC1=O)CC2=CNC3=CC=CC=C32)CO)C)O

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Aselacin a

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Aselacin a

  • First synonym: Aselacin a

  • Synonyms: Aselacin A

Identifiers / External links

Structure

  • Smiles: CCCCCC=CC=CC(CCCCCCCC(=O)NC(CCC(=O)N)C(=O)NC1C(OC(=O)CNC(=O)C(NC(=O)C(NC(=O)CCNC1=O)CC2=CNC3=CC=CC=C32)CO)C)O

  • Isomeric smiles: CCCCC/C=C/C=C/C(CCCCCCCC(=O)NC(CCC(=O)N)C(=O)NC1C(OC(=O)CNC(=O)C(NC(=O)C(NC(=O)CCNC1=O)CC2=CNC3=CC=CC=C32)CO)C)O

  • Inchi: InChI=1S/C46H68N8O11/c1-3-4-5-6-7-9-12-17-32(56)18-13-10-8-11-14-21-39(58)51-35(22-23-38(47)57)44(62)54-42-30(2)65-41(60)28-50-43(61)37(29-55)53-45(63)36(52-40(59)24-25-48-46(42)64)26-31-27-49-34-20-16-15-19-33(31)34/h7,9,12,15-17,19-20,27,30,32,35-37,42,49,55-56H,3-6,8,10-11,13-14,18,21-26,28-29H2,1-2H3,(H2,47,57)(H,48,64)(H,50,61)(H,51,58)(H,52,59)(H,53,63)(H,54,62)/b9-7+,17-12+

  • Inchikey: AYUIKFCHOSVYEV-DGRUYDBLSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C46H68N8O11

  • Molecular weight: 909.10

  • Monoisotopic mass: 908.50075501

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