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Enniatin j3

  • Formula: C32H55N3O9

  • Molecular weight: 625.80

  • Smiles: CCC(C)C1C(=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

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Enniatin j3

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

  • Mycotoxin name: Enniatin j3

  • First synonym: Enniatin j3

  • Synonyms: Enniatin J3

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Structure

  • Smiles: CCC(C)C1C(=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

  • Isomeric smiles: CC[C@H](C)[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

  • Inchi: InChI=1S/C32H55N3O9/c1-15-20(10)23-32(41)44-26(19(8)9)28(37)34(13)22(16(2)3)31(40)43-24(17(4)5)27(36)33(12)21(11)30(39)42-25(18(6)7)29(38)35(23)14/h16-26H,15H2,1-14H3/t20-,21-,22-,23-,24+,25+,26+/m0/s1

  • Inchikey: PKIONGFDDBDWQO-WOAYRZOOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H55N3O9

  • Molecular weight: 625.80

  • Monoisotopic mass: 625.39383034

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