Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577613 | Gold | 3 |
COMPOUND NPA001378
PROPERTIES
| NPAID | NPA001378 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Trichovirin II 5 |
| FORMULA | C81H142N20O21 |
| MOLECULAR WEIGHT (Da) | 1732.1460 |
| ACCURATE MASS (Da) | 1731.0658 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | viride NRRL 5243 |
| InChIKey | SLRZVQHNSXIHCQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C81H142N20O21/c1-27-80(25,98-61(110)50(32-34-55(83)105)91-68(117)76(17,18)95-62(111)51(37-43(5)6)88-59(108)46(11)86-56(106)39-84-66(115)74(13,14)93-47(12)103)71(120)92-58(45(9)10)65(114)97-75(15,16)67(116)85-40-57(107)94-81(26,28-2)72(121)100-79(23,24)73(122)101-35-29-30-53(101)64(113)89-52(38-44(7)8)63(112)96-78(21,22)70(119)99-77(19,20)69(118)90-49(31-33-54(82)104)60(109)87-48(41-102)36-42(3)4/h42-46,48-53,58,102H,27-41H2,1-26H3,(H2,82,104)(H2,83,105)(H,84,115)(H,85,116)(H,86,106)(H,87,109)(H,88,108)(H,89,113)(H,90,118)(H,91,117)(H,92,120)(H,93,103)(H,94,107)(H,95,111)(H,96,112)(H,97,114)(H,98,110)(H,99,119)(H,100,121) |
| SMILES | CCC(C)(NC(=O)CNC(=O)C(C)(C)NC(=O)C(NC(=O)C(C)(CC)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(C)(C)NC(C)=O)C(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jaworski, A; Kirschbaum, J; Brückner, H Structures of trichovirins II, peptaibol antibiotics from the mold Trichoderma viride NRRL 5243 Journal of Peptide Science 1999 5 (8) 341-351. | ||
|---|---|---|---|
| DOI | 10.1002/(sici)1099-1387(199908)5:8<341::aid-psc204>3.0.co;2-0 | PMID | 10507683 |
