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Enniatin f

  • Formula: C36H63N3O9

  • Molecular weight: 681.90

  • Smiles: CCC(C)C(C(=O)C(C(=O)C(C(C)C)O)(C(C)(C)C(=O)C(C(C)C)O)C(C=O)(C(=O)C(C(C)C=C)NC)N(C)C(=O)C(C(C)C)O)NC

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Enniatin f

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

  • Mycotoxin name: Enniatin f

  • First synonym: Enniatin f

  • Synonyms: Enniatin F,144446-20-8,N-[(3S,4S,6R)-6-formyl-10-hydroxy-7-(2-hydroxy-3-methylbutanoyl)-3,8,8,11-tetramethyl-4-(methylamino)-7-[(2S,3S)-3-methyl-2-(methylamino)pentanoyl]-5,9-dioxododec-1-en-6-yl]-2-hydroxy-N,3-dimethylbutanamide,DTXSID601017690,Enniatin A, 2-(N-methyl-L-leucine)-,Cyclo(hiv-Me-leu-hiv-Me-ile-hiv-Me-ile)

Identifiers / External links

Structure

  • Smiles: CCC(C)C(C(=O)C(C(=O)C(C(C)C)O)(C(C)(C)C(=O)C(C(C)C)O)C(C=O)(C(=O)C(C(C)C=C)NC)N(C)C(=O)C(C(C)C)O)NC

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

  • Inchi: InChI=1S/C36H63N3O9/c1-16-22(9)24(37-13)29(44)35(18-40,39(15)33(48)28(43)21(7)8)36(32(47)27(42)20(5)6,30(45)25(38-14)23(10)17-2)34(11,12)31(46)26(41)19(3)4/h16,18-28,37-38,41-43H,1,17H2,2-15H3/t22-,23-,24-,25-,26?,27?,28?,35+,36?/m0/s1

  • Inchikey: GWWBZXAXHGJDAW-UAGUYINHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C36H63N3O9

  • Molecular weight: 681.90

  • Monoisotopic mass: 681.4564306

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