Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019426
PROPERTIES
| NPAID | NPA019426 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Trichovirin II 4a |
| 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 | XVGGLKMXHOMXGY-UHFFFAOYSA-N |
| InChI | InChI=1S/C81H142N20O21/c1-27-80(25,98-63(112)52(38-44(7)8)88-59(108)46(11)86-56(106)39-84-66(115)74(13,14)93-47(12)103)71(120)91-50(32-34-55(83)105)61(110)97-81(26,28-2)72(121)92-58(45(9)10)65(114)96-75(15,16)67(116)85-40-57(107)94-77(19,20)69(118)100-79(23,24)73(122)101-35-29-30-53(101)64(113)89-51(37-43(5)6)62(111)95-78(21,22)70(119)99-76(17,18)68(117)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,90,117)(H,91,120)(H,92,121)(H,93,103)(H,94,107)(H,95,111)(H,96,114)(H,97,110)(H,98,112)(H,99,119)(H,100,118) |
| SMILES | CCC(C)(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(C)(C)NC(C)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC)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 |
