Longibrachin LGA II
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Formula: C91H151N23O24
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Molecular weight: 1951.30
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Smiles: CCC(C)(C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)CO)NC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C
Longibrachin LGA II
Names
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Mycotoxin name: Longibrachin LGA II
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First synonym: None
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Synonyms: Longibrachin LGA II
Identifiers / External links
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PubChem CID: 163064594
Structure
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Smiles: CCC(C)(C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)CO)NC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C
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Isomeric smiles: CC[C@@](C)(C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)CO)NC(=O)C(C)(C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H]2CCCN2C(=O)C(C)(C)NC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](C(C)C)NC(=O)C(C)(C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](C)NC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)C(C)(C)NC(=O)C
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Inchi: InChI=1S/C91H151N23O24/c1-27-91(26,82(137)103-56(36-39-61(93)118)70(125)102-55(35-38-60(92)117)69(124)99-54(45-115)43-53-32-29-28-30-33-53)113-81(136)89(22,23)112-74(129)64(47(4)5)104-73(128)59-34-31-41-114(59)83(138)90(24,25)110-72(127)58(42-46(2)3)100-63(120)44-95-76(131)84(12,13)111-75(130)65(48(6)7)105-80(135)88(20,21)109-71(126)57(37-40-62(94)119)101-66(121)49(8)96-78(133)86(16,17)107-68(123)51(10)98-79(134)87(18,19)108-67(122)50(9)97-77(132)85(14,15)106-52(11)116/h28-30,32-33,46-51,54-59,64-65,115H,27,31,34-45H2,1-26H3,(H2,92,117)(H2,93,118)(H2,94,119)(H,95,131)(H,96,133)(H,97,132)(H,98,134)(H,99,124)(H,100,120)(H,101,121)(H,102,125)(H,103,137)(H,104,128)(H,105,135)(H,106,116)(H,107,123)(H,108,122)(H,109,126)(H,110,127)(H,111,130)(H,112,129)(H,113,136)/t49-,50-,51-,54+,55+,56+,57+,58-,59-,64-,65-,91+/m1/s1
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Inchikey: DSYPJJKVKMKZTF-RVNBTHOMSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C91H151N23O24
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Molecular weight: 1951.30
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Monoisotopic mass: 1950.13023278
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Fungi
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Fungi id Species 1157 Trichoderma longibrachiatum