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IndLac353
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 1990 / H. theveneti |
| Synonym | Het 403 |
| Molecular formula | C₂₂H₃₇N₅O₂ |
| CAS | 128941-11-7 |
| SMILES | NCCCNCCCCCNCCCNC(C(O)CC1=CNC2=C1C=CC=C2)=O |
| InChI | InChI=1S/C22H37N5O2/c23-10-6-13-24-11-4-1-5-12-25-14-7-15-26-22(29)21(28)16-18-17-27-20-9-3-2-8-19(18)20/h2-3,8-9,17,21,24-25,27-28H,1,4-7,10-16,23H2,(H,26,29) |
| |
| Precursor 1 [M+H]⁺ | 404.30200 |
| Precursor 2 [M+2H]²⁺ | 202.65464 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 412.35222 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 207.18288 |
| Precursor HDX 3 | |
| |
| Rt | 8.42 |
| Rt HDX | 7.04 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 245.12845 | 227.11789 | 228.10191 | 262.15500 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 330.21760 | 312.20704 | 313.19105 | 347.24415 | 143.15428 | 126.12773 | 160.18082 |
| 3 | 387.27545 | 369.26489 | 370.24890 | 404.30200 | 200.21212 | 183.18558 | 217.23867 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | “indol” |
| 160.07569 | a’ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 404.30200 | | A. robustus | Alpha Biotoxin, BEL | Y. M. Forster |
| Data | 202.65464 | | A. robustus | Alpha Biotoxin, BEL | Y. M. Forster |
| Data | HDX | | A. robustus | Alpha Biotoxin, BEL | Y. M. Forster |
| Data | 404.30200 | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Chemical characterization of acylpolyamine toxins from venom of a trap-door spider and two tarantulas | W. S. Skinner, P. A. Dennis, A. Lui, R. L. Carney, G. B. Quistad, Toxicon 1990, 28, 541-546 | H. theveneti | Het 403 | FAB-MS, CI-MS, 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 | H. theveneti | Het 403 | Review | 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 |
|---|
| Atrax robustus | Atracidae | 2020 / Y. M. Forster |
| Hebestatis theveneti | Halonoproctidae | 1990 / W. S. Skinner |
| Larinioides cornutus | Araneidae | 2020 / Y. M. Forster |