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2,4-(OH)₂-PhAcAsn5ßAla4ßAla4ßAla4
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 1997 / N. borbonica |
| Synonym | NPTX 792 / NPTX 792D |
| Molecular formula | C₃₈H₆₈N₁₀O₈ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCCNC(CCNCCCCNC(CCNCCCCNC(CCNCCCCN)=O)=O)=O)=O)CC1=CC=C(O)C=C1O |
| InChI | InChI=1S/C38H68N10O8/c39-15-2-5-16-41-23-12-35(53)45-20-8-7-18-43-25-14-36(54)46-21-9-6-17-42-24-13-34(52)44-19-3-1-4-22-47-38(56)31(28-33(40)51)48-37(55)26-29-10-11-30(49)27-32(29)50/h10-11,27,31,41-43,49-50H,1-9,12-26,28,39H2,(H2,40,51)(H,44,52)(H,45,53)(H,46,54)(H,47,56)(H,48,55) |
| |
| Precursor 1 [M+H]⁺ | 793.52944 |
| Precursor 2 [M+2H]²⁺ | 397.26836 |
| Precursor 3 | |
| |
| HDX | 14 |
| Precursor HDX 1 [M(D₁₄)+D]⁺ | 808.62359 |
| Precursor HDX 2 [M(D₁₄)+2D]²⁺ | 405.31857 |
| Precursor HDX 3 | |
| |
| Rt | 8.03 |
| Rt HDX | 6.87 |
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 | 356.30200 | 339.27545 | 373.32855 |
| 6 | 634.39227 | 616.38171 | 617.36572 | 651.41882 | 427.33912 | 410.31257 | 444.36566 |
| 7 | 705.42939 | 687.41882 | 688.40284 | 722.45594 | 512.42827 | 495.40172 | 529.45481 |
| 8 | 776.50289 | 758.49232 | 759.47634 | 793.52944 | 626.47119 | 609.44464 | 643.49774 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 793.52944 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | 397.26836 | | 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 |
|---|
| 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 792 | 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 | NPTX 792D | 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 & N. borbonica | NPTX 792D | 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 | 2005 / M. S. Palma |
| Trichonephila clavipes | Araneidae | 2020 / Y. M. Forster |
| Nephilingis borbonica | Araneidae | 1997 / Y. Itagaki |