Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020254
PROPERTIES
| NPAID | NPA020254 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Longibrachin LGB II |
| FORMULA | C90H146N22O26 |
| MOLECULAR WEIGHT (Da) | 1952.2860 |
| ACCURATE MASS (Da) | 1951.0779 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | longibrachiatum |
| InChIKey | PKHJDBCKUHACEM-DYSRVMAUSA-N |
| InChI | InChI=1S/C90H146N22O26/c1-44(2)41-55(70(125)108-90(25,26)82(138)112-40-30-33-57(112)71(126)102-62(45(3)4)72(127)110-89(23,24)81(137)111-88(21,22)79(135)101-53(36-39-61(117)118)68(123)99-52(34-37-58(91)114)67(122)100-56(74(129)130)42-51-31-28-27-29-32-51)97-60(116)43-93-75(131)83(11,12)109-73(128)63(46(5)6)103-80(136)87(19,20)107-69(124)54(35-38-59(92)115)98-64(119)47(7)94-77(133)85(15,16)105-66(121)49(9)96-78(134)86(17,18)106-65(120)48(8)95-76(132)84(13,14)104-50(10)113/h27-29,31-32,44-49,52-57,62-63H,30,33-43H2,1-26H3,(H2,91,114)(H2,92,115)(H,93,131)(H,94,133)(H,95,132)(H,96,134)(H,97,116)(H,98,119)(H,99,123)(H,100,122)(H,101,135)(H,102,126)(H,103,136)(H,104,113)(H,105,121)(H,106,120)(H,107,124)(H,108,125)(H,109,128)(H,110,127)(H,111,137)(H,117,118)(H,129,130)/t47-,48-,49-,52-,53-,54-,55-,56-,57-,62-,63-/m0/s1 |
| SMILES | C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)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 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Leclerc; Goulard; Prigent; Bodo; Wroblewski; Rebuffat Sequences and antimycoplasmic properties of longibrachins LGB II and LGB III, two novel 20-residue peptaibols from Trichoderma longibrachiatum Journal of Natural Products 2001 64 (2) 164-170. | ||
|---|---|---|---|
| DOI | 10.1021/np000240s | PMID | 11429993 |
