Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018596
PROPERTIES
| NPAID | NPA018596 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Trichocellin-B-I |
| FORMULA | C89H146N22O25 |
| MOLECULAR WEIGHT (Da) | 1924.2760 |
| ACCURATE MASS (Da) | 1923.0829 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | viride |
| InChIKey | VGUNIIYBCUFGDV-UHFFFAOYSA-N |
| InChI | InChI=1S/C89H146N22O25/c1-45(2)41-56(100-76(132)85(17,18)106-68(124)55(35-38-59(91)115)97-63(119)47(5)93-74(130)83(13,14)104-65(121)49(7)95-75(131)84(15,16)105-64(120)48(6)94-73(129)82(11,12)102-50(8)113)69(125)107-81(9,10)72(128)92-43-60(116)103-87(21,22)78(134)110-89(25,26)80(136)111-40-30-33-57(111)70(126)101-62(46(3)4)71(127)108-88(23,24)79(135)109-86(19,20)77(133)99-54(36-39-61(117)118)67(123)98-53(34-37-58(90)114)66(122)96-52(44-112)42-51-31-28-27-29-32-51/h27-29,31-32,45-49,52-57,62,112H,30,33-44H2,1-26H3,(H2,90,114)(H2,91,115)(H,92,128)(H,93,130)(H,94,129)(H,95,131)(H,96,122)(H,97,119)(H,98,123)(H,99,133)(H,100,132)(H,101,126)(H,102,113)(H,103,116)(H,104,121)(H,105,120)(H,106,124)(H,107,125)(H,108,127)(H,109,135)(H,110,134)(H,117,118) |
| SMILES | CC(C)CC(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)(C)C(=O)NC(CCC(=O)O)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 | - |
