Leucinostatin k
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Formula: C62H111N11O14
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Molecular weight: 1234.60
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Smiles: CCC(C)C=CC(=O)N1CC(CC1C(=O)NC(CC(C)CC(CC(=O)CC)O)C(=O)NC(C(C(C)C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CCCON)C
Leucinostatin k
Names
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Mycotoxin name: Leucinostatin k
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First synonym: Leucinostatin k
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Synonyms: Leucinostatin K,109539-57-3,Paecilotoxin K,N-(1-(aminooxy)-33-hydroxy-26-(1-hydroxy-2-methylpropyl)-17,20-diisobutyl-4,11,11,14,14,23,23,31-octamethyl-6,10,13,16,19,22,25,28,35-nonaoxo-5,9,12,15,18,21,24,27-octaazaheptatriacontan-29-yl)-4-methyl-1-((R,E)-4-methylhex-2-enoyl)pyrrolidine-2-carboxamide,Leucinostatin A, N9-oxide,Leucinostatin A, N9-Oxide ; Paecilotoxin K M-H2O+H
Identifiers / External links
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CAS: 109539-57-3
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PubChem CID: 6450520
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ChemSpiderID: 4953122
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CompTox Chemicals Dashboard (DTXSID): DTXSID701347955
Structure
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Smiles: CCC(C)C=CC(=O)N1CC(CC1C(=O)NC(CC(C)CC(CC(=O)CC)O)C(=O)NC(C(C(C)C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CCCON)C
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Isomeric smiles: CC[C@@H](C)/C=C/C(=O)N1CC(CC1C(=O)NC(CC(C)CC(CC(=O)CC)O)C(=O)NC(C(C(C)C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CCCON)C
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Inchi: InChI=1S/C62H111N11O14/c1-19-38(9)23-24-49(77)73-34-40(11)32-47(73)55(82)67-46(31-39(10)30-43(75)33-42(74)20-2)53(80)69-50(51(78)37(7)8)56(83)71-61(15,16)58(85)68-44(28-35(3)4)52(79)66-45(29-36(5)6)54(81)70-62(17,18)59(86)72-60(13,14)57(84)64-26-25-48(76)65-41(12)22-21-27-87-63/h23-24,35-41,43-47,50-51,75,78H,19-22,25-34,63H2,1-18H3,(H,64,84)(H,65,76)(H,66,79)(H,67,82)(H,68,85)(H,69,80)(H,70,81)(H,71,83)(H,72,86)/b24-23+/t38-,39?,40?,41?,43?,44?,45?,46?,47?,50?,51?/m1/s1
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Inchikey: BHOASNRSZLVNJK-GRWLOXFISA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C62H111N11O14
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Molecular weight: 1234.60
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Monoisotopic mass: 1233.83119726
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Fungi
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Fungi id Species 712 Paecilomyces marquandii