Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020255
PROPERTIES
| NPAID | NPA020255 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Longibrachin LGB III |
| FORMULA | C91H148N22O26 |
| MOLECULAR WEIGHT (Da) | 1966.3130 |
| ACCURATE MASS (Da) | 1965.0935 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | longibrachiatum |
| InChIKey | CZQWLPXGSNBACT-BYCSTOSASA-N |
| InChI | InChI=1S/C91H148N22O26/c1-27-91(26,82(138)102-54(37-40-62(118)119)69(124)100-53(35-38-59(92)115)68(123)101-57(75(130)131)43-52-32-29-28-30-33-52)112-81(137)89(22,23)111-73(128)63(46(4)5)103-72(127)58-34-31-41-113(58)83(139)90(24,25)109-71(126)56(42-45(2)3)98-61(117)44-94-76(132)84(12,13)110-74(129)64(47(6)7)104-80(136)88(20,21)108-70(125)55(36-39-60(93)116)99-65(120)48(8)95-78(134)86(16,17)106-67(122)50(10)97-79(135)87(18,19)107-66(121)49(9)96-77(133)85(14,15)105-51(11)114/h28-30,32-33,45-50,53-58,63-64H,27,31,34-44H2,1-26H3,(H2,92,115)(H2,93,116)(H,94,132)(H,95,134)(H,96,133)(H,97,135)(H,98,117)(H,99,120)(H,100,124)(H,101,123)(H,102,138)(H,103,127)(H,104,136)(H,105,114)(H,106,122)(H,107,121)(H,108,125)(H,109,126)(H,110,129)(H,111,128)(H,112,137)(H,118,119)(H,130,131)/t48-,49-,50-,53-,54-,55-,56-,57-,58-,63-,64-,91?/m0/s1 |
| SMILES | CCC(C)(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)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 |
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 |
