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IndAcAsn5ßAla4ßAla4
General Description
| Name | Value |
|---|
| Level | S-4 / C-3 |
| Discovered | 1997 / N. borbonica |
| Synonym | NPTX 657 / NPTX 657D |
| Molecular formula | C₃₃H₅₅N₉O₅ |
| CAS | 129462-87-9 |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCCNC(CCNCCCCNC(CCNCCCCN)=O)=O)=O)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C33H55N9O5/c34-14-4-7-15-36-20-12-31(45)39-18-9-8-16-37-21-13-30(44)38-17-5-1-6-19-40-33(47)28(23-29(35)43)42-32(46)22-25-24-41-27-11-3-2-10-26(25)27/h2-3,10-11,24,28,36-37,41H,1,4-9,12-23,34H2,(H2,35,43)(H,38,44)(H,39,45)(H,40,47)(H,42,46) |
| |
| Precursor 1 [M+H]⁺ | 658.43989 |
| Precursor 2 [M+2H]²⁺ | 329.72358 |
| Precursor 3 | |
| |
| HDX | 11 |
| Precursor HDX 1 [M(D₁₁)+D]⁺ | 670.51521 |
| Precursor HDX 2 [M(D₁₁)+2D]²⁺ | 336.26438 |
| Precursor HDX 3 | |
| |
| Rt | |
| Rt HDX | |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 272.10297 | 254.09240 | 255.07642 | 289.12952 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 357.19212 | 339.18155 | 340.16557 | 374.21867 | 143.11789 | 126.09134 | 160.14444 |
| 3 | 428.22923 | 410.21867 | 411.20268 | 445.25578 | 214.19139 | 197.16484 | 231.21794 |
| 4 | 499.30273 | 481.29217 | 482.27618 | 516.32928 | 285.22850 | 268.20195 | 302.25505 |
| 5 | 570.33984 | 552.32928 | 553.31329 | 587.36639 | 370.31765 | 353.29110 | 387.34420 |
| 6 | 641.41334 | 623.40278 | 624.38679 | 658.43989 | 484.36058 | 467.33403 | 501.38713 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | a’ |
| 158.06004 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| | | | | |
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 657 | 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 657D | 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 | div. | NPTX 657D | LC-MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Nephila clavata | Araneidae | 2005 / M. S. Palma |
| Trichonephila inaurata madagascariensis | Araneidae | 2005 / M. S. Palma |
| Nephilingis borbonica | Araneidae | 1997 / Y. Itagaki |
| Nephilingis cruentata | Araneidae | 2005 / M. S. Palma |