IndAcOrnAsp5ßAla4ßAla4
General Description
| Name | Value |
|---|---|
| Level | S-1 / C-3 |
| Discovered | 1988 / N. clavata |
| Synonym | Nephilatoxin 7 / NPTX 7 |
| Molecular formula | C₃₈H₆₄N₁₀O₇ |
| CAS | 114355-40-7 |
| SMILES | O=C(CC1=CNC2=C1C=CC=C2)NC(C(CCCN)NC(CC(O)=O)C(NCCCCCNC(CCNCCCCNC(CCNCCCCN)=O)=O)=O)=O |
| InChI | InChI=1S/C38H64N10O7/c39-16-4-7-18-41-23-14-34(50)44-21-9-8-19-42-24-15-33(49)43-20-5-1-6-22-45-37(54)32(26-36(52)53)47-31(13-10-17-40)38(55)48-35(51)25-28-27-46-30-12-3-2-11-29(28)30/h2-3,11-12,27,31-32,41-42,46-47H,1,4-10,13-26,39-40H2,(H,43,49)(H,44,50)(H,45,54)(H,52,53)(H,48,51,55) |
| Precursor 1 [M+H]⁺ | 773.50322 |
| Precursor 2 [M+2H]²⁺ | 387.25525 |
| Precursor 3 | |
| HDX | 14 |
| Precursor HDX 1 [M(D₁₄)+D]⁺ | 788.59737 |
| Precursor HDX 2 [M(D₁₄)+2D]²⁺ | 395.30546 |
| Precursor HDX 3 | |
| Rt | |
| Rt HDX |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|---|---|---|---|---|---|---|
| 1 | 272.13935 | 254.12879 | 255.11280 | 289.16590 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 387.16630 | 369.15573 | 370.13975 | 404.19285 | 143.11789 | 126.09134 | 160.14444 |
| 3 | 472.25545 | 454.24488 | 455.22890 | 489.28199 | 214.19139 | 197.16484 | 231.21794 |
| 4 | 543.29256 | 525.28199 | 526.26601 | 560.31911 | 285.22850 | 268.20195 | 302.25505 |
| 5 | 614.36606 | 596.35549 | 597.33951 | 631.39261 | 370.31765 | 353.29110 | 387.34420 |
| 6 | 685.40317 | 667.39261 | 668.37662 | 702.42972 | 485.34459 | 468.31805 | 502.37114 |
| 7 | 756.47667 | 738.46611 | 739.45012 | 773.50322 | 599.42391 | 582.39736 | 616.45046 |
Additional MS/MS fragments
| m/z | Annotation |
|---|---|
| 130.06513 | a’ |
| 158.06004 | a0 |
Recorded MS/MS spectra
| 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 | Nephilatoxin 7 / NPTX 7 | Amino acid analysis, Activity-studies | Link |
| A new type of spider toxin, nephilatoxin, in the venom of the Joro spider, Nephila clavata | T. Toki, T. Yasuhara, Y. Aramaki, N. Kawai, T. Nakajima, Biomed. Res. 1988, 9, 75-79 | N. clavata | Nephilatoxin 7 | Amino acid analysis, Activity-studies | 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 | NPTX 7 | Review | Link |
| An efficient synthesis of JSTX-3, a potent neurotoxin of Joro spider (Nephila clavata) | M. Matsushita, T. Kanemura, S. Hatakeyama, H. Irie, T. Toki, M. Miyashita, Tetrahedron 1995, 51, 10687-10698 | N. clavata | NPTX 7 (1) | Synthesis, NMR (ns) | Link |
| Synthetic studies on nephilatoxins, new neurotoxins of Joro spider (Nephila clavata) | M. Miyashita, Yuki Gosei Kagaku Kyokaishi 1996, 54, 846-858 | NPTX 7 | Review | Link | |
| Acylpolyamines: Mass spectrometric analytical methods for Araneidae spider acylpolyamines | Y. Itagaki , T. Nakajima , Toxin Rev. 2000, 19, 23-52 | N. clavata | NPTX 7 | 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 | NPTX 7 | LC-MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|---|---|
| Nephila clavata | Araneidae | 1988 / T. Toki |