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IndAc3343

General Description

NameValue
LevelS-1 / C-1
Discovered1991 / H. curta
SynonymAG 416 / Agel 416 / HO 416a
Molecular formulaC₂₃H₄₀N₆O
CAS133805-33-1
SMILESO=C(NCCCNCCCNCCCCNCCCN)CC1=CNC2=C1C=CC=C2
InChIInChI=1S/C23H40N6O/c24-10-5-13-25-11-3-4-12-26-14-6-15-27-16-7-17-28-23(30)18-20-19-29-22-9-2-1-8-21(20)22/h1-2,8-9,19,25-27,29H,3-7,10-18,24H2,(H,28,30)
Precursor 1 [M+H]⁺417.33364
Precursor 2 [M+2H]²⁺209.17046
Precursor 3
HDX7
Precursor HDX 1 [M(D₇)+D]⁺425.38385
Precursor HDX 2 [M(D₇)+2D]²⁺213.69870
Precursor HDX 3
Rt7.64
Rt HDX6.21

Calculated MS/MS fragments

#abctazytz
1215.11789197.10732198.09134232.1444458.0651341.0385875.09167
2272.17574254.16517255.14919289.20229129.13862112.11208146.16517
3343.24924325.23867326.22269360.27579186.19647169.16993203.22302
4400.30709382.29652383.28054417.33364243.25432226.22777260.28087

Additional MS/MS fragments

m/zAnnotation
130.06513a’
158.06004a0

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data417.33364synth. IndAc3343UZH Bienz lab, CHEY. M. Forster
Data209.17046synth. IndAc3343UZH Bienz lab, CHEY. M. Forster
Data417.33364A. apertaFauna Laboratories Ltd., KAZY. M. Forster
Data209.17046A. apertaFauna Laboratories Ltd., KAZY. M. Forster
DataHDXIndAc3334 / IndAc3433A. apertaFauna Laboratories Ltd., KAZY. M. Forster
Data417.33364A. potteriFauna Laboratories Ltd., KAZY. M. Forster
Data209.17046A. potteriFauna Laboratories Ltd., KAZY. M. Forster
DataHDXA. potteriFauna Laboratories Ltd., KAZY. M. Forster
Data417.33364H. curtaFauna Laboratories Ltd., KAZY. M. Forster
Data209.17046IndAc3334 / IndAc3433H. curtaFauna Laboratories Ltd., KAZY. M. Forster
DataHDXIndAc3334H. curtaFauna Laboratories Ltd., KAZY. M. Forster
Data417.33364Hololena sp.Spider Pharm, USAY. M. Forster
Data209.17046IndAc3334Hololena sp.Spider Pharm, USAY. M. Forster
DataHDXIndAc3334Hololena sp.Spider Pharm, USAY. M. Forster

References

TitleReferenceSpiderNameContentLink
Paralytic and insecticidal toxins from the funnel web spider, Hololena curtaG. B. Quistad, C. C. Reuter, W. S. Skinner, P. A. Dennis, S. Suwanrumpha, E. W. Fu, Toxicon 1991, 29, 329-336H. curtaHO 359FAB-MS/MS (ns), Activity-studiesLink
Arylamine toxins from funnel-web spider (Agelenopsis aperta) venom antagonize N-methyl-D-aspartate receptor function in mammalian brainT. N. Parks, A. L. Mueller, L. D: Artman, B. C. Albensi, E. F. Nemeth, H. Jacksin, V. J. Jasys, N. A. Saccomano, R. A. Volkmann, J. Biol. Chem. 1991, 266, 32, 21523-21529A. apertaAG 416Activity-studiesLink
Polyamine toxins from spiders and waspsA. Schäfer, H. Benz, W. Fiedler, A. Guggisberg, S. Bienz, M. Hesse, The Alkaloids 1994, 45, 1-125A. aperta & H. curtaAG 416 / Agel 416 / HO 416aReviewLink
Solid-phase synthesis of Agel 416; a novel approach to modified polyaminesN. D: Hone, L. J. Payne, Tetrahedron Letters 2000, 41, 32, 6149-6152Agel 416Synthesis, NMRLink
Acylpolyamines: Mass spectrometric analytical methods for Araneidae spider acylpolyaminesY. Itagaki, T. Nakajima, Toxin Rev. 2000, 19, 1, 23-52A. aperta & H. curtaAG 416 / Agel 416 / HO 416aReviewLink
The acylpolyamines from the venom of the spider Agelenopsis apertaS. Chesnov, L. Bigler, M. Hesse, Helv. Chim. Acta 2001, 84, 2178-2197A. apertaAG 416APCI-MS/MSLink
Solid-phase synthesis of polyamine spider toxins and correlation with natural products by HPLC-MS/MSN. Manov, M. Tzouros, S. Chesnov, L. Bigler, S. Bienz, Helv. Chim. Acta 2002, 85, 2827-2846A. apertaSynthesis, NMR, APCI-MS/MSLink)
Tandem mass spectrometric investigation of acylpolyamines of spider venoms and their 15N-labeled derivativesM. Tzouros, N. Manov, S. Bienz, L. Bigler, J. Am. Soc. Mass Spectrom. 2004, 15, 1636-1643APCI-MS/MSLink
Low molecular mass compounds in spider venomY. M. Forster, S. Bienz, L. Bigler, 2020, in preparationdiv.Link

Spider species

Spider speciesFamilyDiscovered
Agelenopsis apertaAgelenidae1991 / T. N. Parks
Agelenopsis potteriAgelenidae2020 / Y. M. Forster
Hololena curtaAgelenidae1991 / G. B. Quistad
Hololena sp.Agelenidae2020 / Y. M. Forster

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