2,4-(OH)₂-PhAcAsn43Arg

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / P. bistriata
Synonym
Molecular formulaC₂₅H₄₃N₉O₆
CAS
SMILESO=C(CC1=CC=C(O)C=C1O)NC(CC(N)=O)C(NCCCCNCCCNC(C(N)CCCNC(N)=N)=O)=O
InChIInChI=1S/C25H43N9O6/c26-18(5-3-11-33-25(28)29)23(39)31-12-4-9-30-8-1-2-10-32-24(40)19(15-21(27)37)34-22(38)13-16-6-7-17(35)14-20(16)36/h6-7,14,18-19,30,35-36H,1-5,8-13,15,26H2,(H2,27,37)(H,31,39)(H,32,40)(H,34,38)(H4,28,29,33)
Precursor 1 [M+H]⁺566.34091
Precursor 2 [M+2H]²⁺283.67409
Precursor 3
HDX14
Precursor HDX [M(D₁₄)+D]⁺581.43506
Precursor HDX 2 [M(D₁₄)+2D]²⁺291.72431
Precursor HDX 3
Rt4.55
Rt HDX3.39

Calculated MS/MS fragments

#abctazytz
1265.08190247.07133248.05535282.10845214.16624197.13969231.19279
2336.15540318.14483319.12885353.18195285.23974268.21319302.26629
3393.21325375.20268376.18670566.34091399.28266382.25611416.30921

Additional MS/MS fragments

m/zAnnotation
123.04406a’

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data66.34091T. clavipesSpider Pharm, USAY. M. Forster
Data283.67409T. clavipesSpider Pharm, USAY. M. Forster
DataHDXT. clavipesSpider Pharm, USAY. M. Forster
Data566.34091P. bistriataProf. Dr. Wagner Ferreira dos Santos, BRAY. M. Forster
Data283.67409P. bistriataProf. Dr. Wagner Ferreira dos Santos, BRAY. M. Forster
DataHDXP. bistriataProf. Dr. Wagner Ferreira dos Santos, BRAY. M. Forster

References

TitleReferenceSpiderNameContentLink
Elucidation of the structure and synthesis of neuroprotective low molecular mass components of the Parawixia bistriata spider venomY. M. Forster, J. L. Green, A. Khatiwada, J. L. Liberato, P. A. Narayana Reddy, J. M. Salvino, S. Bienz, L. Bigler, W. Ferreira dos Santos, A. C. K. Fontana, ACS Chem Neurosci., 2020P. bistriataESI-MS/MSLink
Low molecular mass compounds in spider venomY. M. Forster, S. Bienz, L. Bigler, 2020, in preparationdiv.Link

Spider species

Spider speciesFamilyDiscovered
Trichonephila clavipesAraneidae2020 / Y. M. Forster
Parawixia bistriataAraneidae2020 / Y. M. Forster

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