Enniatin N
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Formula: C36H63N3O10
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Molecular weight: 697.90
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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)CC)C(C)C)C)C(C)(CC)O)C(C)C)C
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Type: Cyclodepsipeptide
Enniatin N
Names
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Mycotoxin name: Enniatin N
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First synonym: None
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Synonyms: Enniatin N,(3S,6R,9S,12R,15S,18R)-6,12-bis[(2S)-butan-2-yl]-18-[(2R)-2-hydroxybutan-2-yl]-4,10,16-trimethyl-3,9,15-tri(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)-18-((2R)-2-hydroxybutan-2-yl)-4,10,16-trimethyl-3,9,15-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone,CHEBI:224710
Identifiers / External links
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PubChem CID: 11445430
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ChemSpiderID: 9620291
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Chemical Entities of Biological Interest (CHEBI): CHEBI:224710
Structure
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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)CC)C(C)C)C)C(C)(CC)O)C(C)C)C
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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)(CC)O)C(C)C)C
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Inchi: InChI=1S/C36H63N3O10/c1-16-22(10)27-30(40)37(13)24(19(4)5)33(43)47-28(23(11)17-2)31(41)38(14)26(21(8)9)35(45)49-29(36(12,46)18-3)32(42)39(15)25(20(6)7)34(44)48-27/h19-29,46H,16-18H2,1-15H3/t22-,23-,24-,25-,26-,27+,28+,29-,36+/m0/s1
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Inchikey: OEJHQIOIRDFEIC-UZYDCGCJSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C36H63N3O10
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Molecular weight: 697.90
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Monoisotopic mass: 697.45134521
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Fungi
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Fungi id Species