Navigation :
IndAcAsn5ßAla3Arg
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 1997 / N. madagascariensis |
| Synonym | NPTX 657 / NPTX 657E |
| Molecular formula | C₃₁H₅₁N₁₁O₅ |
| CAS | 193140-30-6 |
| SMILES | O=C(CC1=CNC2=C1C=CC=C2)NC(CC(N)=O)C(NCCCCCNC(CCNCCCNC(C(CCCNC(N)=N)N)=O)=O)=O |
| InChI | InChI=1S/C31H51N11O5/c32-23(9-6-15-40-31(34)35)29(46)38-16-7-12-36-17-11-27(44)37-13-4-1-5-14-39-30(47)25(19-26(33)43)42-28(45)18-21-20-41-24-10-3-2-8-22(21)24/h2-3,8,10,20,23,25,36,41H,1,4-7,9,11-19,32H2,(H2,33,43)(H,37,44)(H,38,46)(H,39,47)(H,42,45)(H4,34,35,40) |
| |
| Precursor 1 [M+H]⁺ | 658.41474 |
| Precursor 2 [M+2H]²⁺ | 329.71101 |
| Precursor 3 | |
| |
| HDX | 14 |
| Precursor HDX 1 [M(D₁₄)+D]⁺ | 673.50889 |
| Precursor HDX 2 [M(D₁₄)+2D]²⁺ | 337.76122 |
| Precursor HDX 3 | |
| |
| Rt | 12.93 |
| Rt HDX | 11.60 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 272.10297 | 254.09240 | 255.07642 | 289.12952 | 214.16624 | 197.13969 | 231.19279 |
| 2 | 357.19212 | 339.18155 | 340.16557 | 374.21867 | 285.20335 | 268.17680 | 302.22990 |
| 3 | 428.22923 | 410.21867 | 411.20268 | 445.25578 | 370.29250 | 353.26595 | 387.31905 |
| 4 | 485.28708 | 467.27652 | 468.26053 | 658.41474 | 484.33543 | 467.30888 | 501.36198 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | a’ |
| 158.06004 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 658.41474 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | 329.71101 | | 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 |
|---|
| Application of liquid matrix-assisted laser desorption/ionization 4-sector tandem mass spectrometry for the analysis of spider toxin acylpolyamines | T. Fujita, Y. Itagaki, M. Hisaka, T. Nakajima, M. Andriantsiferana, Rapid Commun. Mass Spectrom. 1997, 11, 1115-1119 | N. madagascariensis | NPTX 657 | LMALDI-CID | Link |
| Acylpolyamines: Mass spectrometric analytical methods for Araneidae spider acylpolyamines | Y. Itagaki , T. Nakajima , Toxin Rev. 2000, 19, 23-52 | | NPTX 657E | 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 657E | 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 |
| Trichonephila inaurata madagascariensis | Araneidae | 1997 / T. Fujita |
| Nephilingis borbonica | Araneidae | 2005 / M. S. Palma |
| Nephilingis cruentata | Araneidae | 2005 / M. S. Palma |