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2,4-(OH)₂-PhAcAsn5OrnArg
General Description
| Name | Value |
|---|
| Level | S-1 / C-3 |
| Discovered | 1990 / N. clavata |
| Synonym | JSTX 4 |
| Molecular formula | C₂₈H₄₈N₁₀O₇ |
| CAS | 133689-61-9 |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCCNC(C(CCCN)NC(C(N)CCCNC(N)=N)=O)=O)=O)CC1=CC=C(O)C=C1O |
| InChI | InChI=1S/C28H48N10O7/c29-10-4-7-20(38-25(43)19(30)6-5-13-36-28(32)33)26(44)34-11-2-1-3-12-35-27(45)21(16-23(31)41)37-24(42)14-17-8-9-18(39)15-22(17)40/h8-9,15,19-21,39-40H,1-7,10-14,16,29-30H2,(H2,31,41)(H,34,44)(H,35,45)(H,37,42)(H,38,43)(H4,32,33,36) |
| |
| Precursor 1 [M+H]⁺ | 637.37802 |
| Precursor 2 [M+2H]²⁺ | 319.19265 |
| Precursor 3 | |
| |
| HDX | 16 |
| Precursor HDX 1 [M(D₁₆)+D]⁺ | 654.48473 |
| Precursor HDX 2 [M(D₁₆)+2D]²⁺ | 328.24914 |
| Precursor HDX 3 | |
| |
| Rt | |
| Rt HDX | |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 265.08190 | 247.07133 | 248.05535 | 282.10845 | 271.18770 | 254.16115 | 288.21425 |
| 2 | 350.17105 | 332.16048 | 333.14450 | 367.19760 | 356.27685 | 339.25030 | 373.30340 |
| 3 | 464.25036 | 446.23980 | 447.22381 | 637.37802 | 470.31978 | 453.29323 | 487.34633 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| | | | | |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Isolation and chemical characterization of a series of new spider toxin (nephilatoxins) in the venom of Joro spider, Nephila clavata | T. Toki, T. Yasuhara, Y. Aramaki, K. Osawa, A. Miwa, N. Kawai, T. Nakajima, Biomed. Res. 1988, 9, 421-428 | N. clavata | JSTX 4 | 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 4 | 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 4 | Review | Link |
| Diversity of Joro spider toxins | M. Yoshioka, 1997, 117, 700-714 | | JSTX 4 | Review | Link |
| Acylpolyamines: Mass spectrometric analytical methods for Araneidae spider acylpolyamines | Y. Itagaki , T. Nakajima , Toxin Rev. 2000, 19, 23-52 | N. clavata | JSTX 4 | 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 4 | LC-MS | Link |
| Solid-phase synthesis and biological evaluation of Joro spider toxin-4 from Nephila clavata | A. F. Barslund, M. H. Poulsen, T. B. Bach, S. Lucas, A. S. Kristensen, K. Strømgaard, J. Nat. Prod. 2011, 74, 483-486 | | JSTX 4 (1) | Synthesis, NMR, Activity-studies | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Nephila clavata | Araneidae | 1990 / T. Toki |