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Enniatin k1

  • Formula: C32H55N3O9

  • Molecular weight: 625.80

  • Smiles: CCC1C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C

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Enniatin k1

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

  • Mycotoxin name: Enniatin k1

  • First synonym: Enniatin k1

  • Synonyms: enniatin K1,CHEMBL505058,DTXSID801017977,(3S,6R,9S,12R,15S,18R)-3-ethyl-4,10,16-trimethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone,716318-00-2

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Structure

  • Smiles: CCC1C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C

  • Isomeric smiles: CC[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C

  • Inchi: InChI=1S/C32H55N3O9/c1-15-21-30(39)42-25(19(8)9)28(37)34(13)23(17(4)5)32(41)44-26(20(10)11)29(38)35(14)22(16(2)3)31(40)43-24(18(6)7)27(36)33(21)12/h16-26H,15H2,1-14H3/t21-,22-,23-,24+,25+,26+/m0/s1

  • Inchikey: WOLNKVVWOKWVJB-LZNKSJHBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H55N3O9

  • Molecular weight: 625.80

  • Monoisotopic mass: 625.39383034

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