Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577583 | Gold | 3 |
COMPOUND NPA019056
PROPERTIES
| NPAID | NPA019056 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Trichocellin-A-VI |
| FORMULA | C92H153N23O24 |
| MOLECULAR WEIGHT (Da) | 1965.3730 |
| ACCURATE MASS (Da) | 1964.1459 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | viride |
| InChIKey | GTYCTZPHNVWRBI-UHFFFAOYSA-N |
| InChI | InChI=1S/C92H153N23O24/c1-27-92(26,83(138)104-57(36-39-63(94)119)71(126)103-56(35-38-62(93)118)70(125)100-55(46-116)44-54-32-29-28-30-33-54)114-82(137)90(22,23)113-76(131)66(49(6)7)106-75(130)61-34-31-41-115(61)84(139)91(24,25)112-73(128)59(42-47(2)3)101-65(121)45-96-77(132)85(12,13)111-74(129)60(43-48(4)5)105-81(136)89(20,21)110-72(127)58(37-40-64(95)120)102-67(122)50(8)97-79(134)87(16,17)108-69(124)52(10)99-80(135)88(18,19)109-68(123)51(9)98-78(133)86(14,15)107-53(11)117/h28-30,32-33,47-52,55-61,66,116H,27,31,34-46H2,1-26H3,(H2,93,118)(H2,94,119)(H2,95,120)(H,96,132)(H,97,134)(H,98,133)(H,99,135)(H,100,125)(H,101,121)(H,102,122)(H,103,126)(H,104,138)(H,105,136)(H,106,130)(H,107,117)(H,108,124)(H,109,123)(H,110,127)(H,111,129)(H,112,128)(H,113,131)(H,114,137) |
| 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(CC(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 |
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 | - |
