Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001811
PROPERTIES
| NPAID | NPA001811 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Trichocellin-A-IV |
| FORMULA | C90H149N23O24 |
| MOLECULAR WEIGHT (Da) | 1937.3190 |
| ACCURATE MASS (Da) | 1936.1146 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | viride |
| InChIKey | BNVDFXZVGQBUJU-UHFFFAOYSA-N |
| InChI | InChI=1S/C90H149N23O24/c1-27-47(5)63(103-77(133)86(18,19)108-69(125)56(38-41-60(93)118)99-64(120)48(6)95-75(131)84(14,15)106-66(122)50(8)97-76(132)85(16,17)107-65(121)49(7)96-74(130)83(12,13)104-51(9)115)72(128)110-82(10,11)73(129)94-44-61(119)105-87(20,21)78(134)111-89(24,25)81(137)113-42-32-35-57(113)70(126)102-62(46(3)4)71(127)109-88(22,23)79(135)112-90(26,28-2)80(136)101-55(37-40-59(92)117)68(124)100-54(36-39-58(91)116)67(123)98-53(45-114)43-52-33-30-29-31-34-52/h29-31,33-34,46-50,53-57,62-63,114H,27-28,32,35-45H2,1-26H3,(H2,91,116)(H2,92,117)(H2,93,118)(H,94,129)(H,95,131)(H,96,130)(H,97,132)(H,98,123)(H,99,120)(H,100,124)(H,101,136)(H,102,126)(H,103,133)(H,104,115)(H,105,119)(H,106,122)(H,107,121)(H,108,125)(H,109,127)(H,110,128)(H,111,134)(H,112,135) |
| SMILES | CCC(C)C(C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(CC)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC2=CC=CC=C2)CO)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 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wada, Shun-ichi; Nishimura, Tetsuya; Iida, Akira; Toyama, Nobuo; Fujita, Tetsuro Primary structures of antibiotic peptides, trichocellins-A and -B from Trichoderma viride Tetrahedron Letters 1994 35 (19) 3095-3098. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)76838-9 | PMID | - |
