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2,4-(OH)₂-PhAcAsn5ßAla4ßAla4
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 1990 / N. clavata |
| Synonym | JSTX 2 / NPTX 650 |
| Molecular formula | C₃₁H₅₄N₈O₇ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCCNC(CCNCCCCNC(CCNCCCCN)=O)=O)=O)CC1=CC=C(O)C=C1O |
| InChI | InChI=1S/C31H54N8O7/c32-12-2-5-13-34-18-10-29(44)37-16-7-6-14-35-19-11-28(43)36-15-3-1-4-17-38-31(46)25(22-27(33)42)39-30(45)20-23-8-9-24(40)21-26(23)41/h8-9,21,25,34-35,40-41H,1-7,10-20,22,32H2,(H2,33,42)(H,36,43)(H,37,44)(H,38,46)(H,39,45) |
| |
| Precursor 1 [M+H]⁺ | 651.41882 |
| Precursor 2 [M+2H]²⁺ | 326.21305 |
| Precursor 3 | |
| |
| HDX | 12 |
| Precursor HDX 1 [M(D₁₂)+D]⁺ | 664.50042 |
| Precursor HDX 2 [M(D₁₂)+2D]²⁺ | 333.25699 |
| Precursor HDX 3 | |
| |
| Rt | 7.58 |
| Rt HDX | 6.46 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 265.08190 | 247.07133 | 248.05535 | 282.10845 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 350.17105 | 332.16048 | 333.14450 | 367.19760 | 143.11789 | 126.09134 | 160.14444 |
| 3 | 421.20816 | 403.19760 | 404.18161 | 438.23471 | 214.19139 | 197.16484 | 231.21794 |
| 4 | 492.28166 | 474.27110 | 475.25511 | 509.30821 | 285.22850 | 268.20195 | 302.25505 |
| 5 | 563.31877 | 545.30821 | 546.29223 | 580.34532 | 370.31765 | 353.29110 | 387.34420 |
| 6 | 634.39227 | 616.38171 | 617.36572 | 651.41882 | 484.36058 | 467.33403 | 501.38713 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 651.41882 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | 326.21305 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Chemical structure of Joro spider toxin (JSTX) | Y. Aramaki, T. Yasuhara, K. Schimazaki, N. Kawai, T. Nakajima, Biomed. Res. 1987, 8, 241 | N. clavata | JSTX 2 | NMR (ns), Amino acid analysis, structure unknown | Link |
| Molecular structures of spider toxins (JSTX-1, 2, 3 and 4) in the venom of Nephila clavata L. Koch | T. Toki, T. Yasuhara, Y. Aramaki, Y. Hashimoto, K. Shudo, N. Kawai, T. Nakajima, Jpn. J. Sanit. Zool. 1990, 41, 9-14 | N. clavata | JSTX 2 | Amino acid analysis | Link |
| Polyamine toxins from spiders and wasps | A. Schäfer, H. Benz, W. Fiedler, A. Guggisberg, S. Bienz, M. Hesse, The Alkaloids 1994, 45, 1-125 | N. clavata | JSTX 2 | Review | Link |
| Detection of new spider toxins from a Nephilengys borbonica venom gland using on-line µ-column HPLC continuous flow (FRIT) FAB LC/MS and MS/MS | Y. Itagaki, T. Fujita, H. Naoki, T. Yasuhara, M. Andriantsiferana, T. Nakajima, Nat. Toxins 1997, 5, 1-13 | N. borbonica | NPTX 650 | LC-FAB-MS | Link |
| Acylpolyamines: Mass spectrometric analytical methods for Araneidae spider acylpolyamines | Y. Itagaki , T. Nakajima , Toxin Rev. 2000, 19, 23-52 | N. borbonica & N. clavata | JSTX 2 | Review | Link |
| A natural combinatorial chemistry strategy in acylpolyamine toxins from Nephilinae orb-web spiders | M. S. Palma, T. Nakajima, Toxin Rev. 2005, 24, 209-234 | N. clavata | JSTX 2 | LC-MS | Link |
| Low molecular mass compounds in spider venom | Y. M. Forster, S. Bienz, L. Bigler, 2020, in preparation | div. | | | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Nephila clavata | Araneidae | 1990 / T. Toki |
| Trichonephila clavipes | Araneidae | 2020 / Y. M. Forster |
| Nephilingis borbonica | Araneidae | 1997 / Y. Itagaki |