Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008643
PROPERTIES
| NPAID | NPA008643 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Trichovirin II 3a |
| FORMULA | C80H140N20O21 |
| MOLECULAR WEIGHT (Da) | 1718.1190 |
| ACCURATE MASS (Da) | 1717.0502 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | viride NRRL 5243 |
| InChIKey | ZXDDOBWNYWMQMH-UHFFFAOYSA-N |
| InChI | InChI=1S/C80H140N20O21/c1-27-80(26,97-60(109)49(31-33-54(82)104)90-67(116)75(16,17)94-61(110)50(36-42(4)5)87-58(107)45(10)85-55(105)38-83-65(114)73(12,13)92-46(11)102)71(120)91-57(44(8)9)64(113)96-74(14,15)66(115)84-39-56(106)93-77(20,21)69(118)99-79(24,25)72(121)100-34-28-29-52(100)63(112)88-51(37-43(6)7)62(111)95-78(22,23)70(119)98-76(18,19)68(117)89-48(30-32-53(81)103)59(108)86-47(40-101)35-41(2)3/h41-45,47-52,57,101H,27-40H2,1-26H3,(H2,81,103)(H2,82,104)(H,83,114)(H,84,115)(H,85,105)(H,86,108)(H,87,107)(H,88,112)(H,89,117)(H,90,116)(H,91,120)(H,92,102)(H,93,106)(H,94,110)(H,95,111)(H,96,113)(H,97,109)(H,98,119)(H,99,118) |
| SMILES | CCC(C)(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(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(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 |
