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Enniatin H

  • Formula: C34H59N3O9

  • Molecular weight: 653.80

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)C(C)C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C

  • Type: Cyclodepsipeptide

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Enniatin H

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

  • Mycotoxin name: Enniatin H

  • First synonym: None

  • Synonyms: Enniatin H,(3S,6R,9S,12R,15S,18R)-6-[(2S)-butan-2-yl]-4,10,16-trimethyl-3,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone,(3S,6R,9S,12R,15S,18R)-6-((2S)-butan-2-yl)-4,10,16-trimethyl-3,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone,CHEBI:215099

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Structure

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)C(C)C)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)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)C(C)C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C

  • Inchi: InChI=1S/C34H59N3O9/c1-16-22(12)28-31(40)37(15)24(18(4)5)33(42)45-26(20(8)9)29(38)35(13)23(17(2)3)32(41)44-27(21(10)11)30(39)36(14)25(19(6)7)34(43)46-28/h17-28H,16H2,1-15H3/t22-,23-,24-,25-,26+,27+,28+/m0/s1

  • Inchikey: GLJAZFODNQNIGM-UMURLBKASA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C34H59N3O9

  • Molecular weight: 653.80

  • Monoisotopic mass: 653.42513047

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