Enniatin j1
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Formula: C31H53N3O9
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Molecular weight: 611.80
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Smiles: CC1C(=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(C)C
Enniatin j1
Names
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Mycotoxin name: Enniatin j1
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First synonym: Enniatin j1
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Synonyms: enniatin J1,CHEMBL455737,DTXSID701017631,19893-15-3
Identifiers / External links
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CAS: 19893-15-3
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PubChem CID: 11814110
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DSS TOX CID: DTXCID801475816
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ChemSpiderID: 9988768
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ChEMBL: CHEMBL455737
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Chemical Entities of Biological Interest (CHEBI): CHEBI:197981
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CompTox Chemicals Dashboard (DTXSID): DTXSID701017631
Structure
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Smiles: CC1C(=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(C)C
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Isomeric smiles: 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(C)C
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Inchi: InChI=1S/C31H53N3O9/c1-15(2)21-30(39)42-23(17(5)6)26(35)32(12)20(11)29(38)41-24(18(7)8)27(36)33(13)22(16(3)4)31(40)43-25(19(9)10)28(37)34(21)14/h15-25H,1-14H3/t20-,21-,22-,23+,24+,25+/m0/s1
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Inchikey: IEUFDXNGDNWAKU-MAKNZWJESA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C31H53N3O9
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Molecular weight: 611.80
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Monoisotopic mass: 611.37818028
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Fungi
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Fungi id Species 565 Fusarium sp. F31