Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577739 | Gold | 3 |
COMPOUND NPA016096
PROPERTIES
| NPAID | NPA016096 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Trichovirin II 2c |
| FORMULA | C80H140N20O21 |
| MOLECULAR WEIGHT (Da) | 1718.1190 |
| ACCURATE MASS (Da) | 1717.0502 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | viride |
| InChIKey | GDPJIKURNIWHSE-UHFFFAOYSA-N |
| InChI | InChI=1S/C80H140N20O21/c1-40(2)34-47(39-101)86-60(108)48(29-31-53(81)103)89-70(118)77(19,20)98-72(120)79(23,24)96-63(111)51(36-42(5)6)88-64(112)52-28-27-33-100(52)73(121)80(25,26)99-71(119)78(21,22)94-56(106)38-84-68(116)75(15,16)97-66(114)58(44(9)10)92-65(113)57(43(7)8)91-61(109)49(30-32-54(82)104)90-69(117)76(17,18)95-62(110)50(35-41(3)4)87-59(107)45(11)85-55(105)37-83-67(115)74(13,14)93-46(12)102/h40-45,47-52,57-58,101H,27-39H2,1-26H3,(H2,81,103)(H2,82,104)(H,83,115)(H,84,116)(H,85,105)(H,86,108)(H,87,107)(H,88,112)(H,89,118)(H,90,117)(H,91,109)(H,92,113)(H,93,102)(H,94,106)(H,95,110)(H,96,111)(H,97,114)(H,98,120)(H,99,119) |
| SMILES | CC(C)CC(CO)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(NC(=O)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(C)C)C(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 |
