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Enniatin I

  • Formula: C35H61N3O9

  • Molecular weight: 667.90

  • 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)CC)C(C)C)C

  • Type: Cyclodepsipeptide

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Enniatin I

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

  • Mycotoxin name: Enniatin I

  • First synonym: None

  • Synonyms: Enniatin I,(3S,6R,9S,12R,15S,18R)-6,12-bis[(2S)-butan-2-yl]-4,10,16-trimethyl-3,9,15,18-tetra(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone,(3S,6R,9S,12R,15S,18R)-6,12-bis((2S)-butan-2-yl)-4,10,16-trimethyl-3,9,15,18-tetra(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone,CHEMBL5171993,CHEBI:216339

Identifiers / External links

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)CC)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@@H](C)CC)C(C)C)C)C(C)C)C(C)C)C

  • Inchi: InChI=1S/C35H61N3O9/c1-16-22(11)28-31(40)37(14)24(18(3)4)33(42)45-27(21(9)10)30(39)36(13)25(19(5)6)34(43)46-29(23(12)17-2)32(41)38(15)26(20(7)8)35(44)47-28/h18-29H,16-17H2,1-15H3/t22-,23-,24-,25-,26-,27+,28+,29+/m0/s1

  • Inchikey: APMPIOHITHNSGF-CIRFPNLUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C35H61N3O9

  • Molecular weight: 667.90

  • Monoisotopic mass: 667.44078053

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