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IndAcAsn5OrnArg

General Description

Name	Value
Level	S-1 / C-3
Discovered	1988 / N. clavata
Synonym	Nephilatoxin 9 / NPTX 9
Molecular formula	C₃₀H₄₉N₁₁O₅
CAS	114355-42-9
SMILES	`O=C(CC1=CNC2=C1C=CC=C2)NC(CC(N)=O)C(NCCCCCNC(C(CCCN)NC(C(N)CCCNC(N)=N)=O)=O)=O`
InChI	`InChI=1S/C30H49N11O5/c31-12-6-11-23(41-27(44)21(32)9-7-15-38-30(34)35)28(45)36-13-4-1-5-14-37-29(46)24(17-25(33)42)40-26(43)16-19-18-39-22-10-3-2-8-20(19)22/h2-3,8,10,18,21,23-24,39H,1,4-7,9,11-17,31-32H2,(H2,33,42)(H,36,45)(H,37,46)(H,40,43)(H,41,44)(H4,34,35,38)`

Precursor 1 [M+H]⁺	644.39909
Precursor 2 [M+2H]²⁺	322.70318
Precursor 3

HDX	15
Precursor HDX 1 [M(D₁₅)+D]⁺	660.49952
Precursor HDX 2 [M(D₁₅)+2D]²⁺	331.25654
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	271.18770	254.16115	288.21425
2	357.19212	339.18155	340.16557	374.21867	356.27685	339.25030	373.30340
3	471.27143	453.26087	454.24488	644.39909	470.31978	453.29323	487.34633

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
Isolation and chemical characterization of a series of new spider toxin (nephilatoxins) in the venom of Joro spider, Nephila clavata	T. Toki, T. Yasuhara, Y. Aramaki, K. Osawa, A. Miwa, N. Kawai, T. Nakajima, Biomed. Res. 1988, 9, 421-428	N. clavata	Nephilatoxin 9 / NPTX 9	Amino acid analysis, Activity-studies	Link
A new type of spider toxin, nephilatoxin, in the venom of the Joro spider, Nephila clavata	T. Toki, T. Yasuhara, Y. Aramaki, N. Kawai, T. Nakajima, Biomed. Res. 1988, 9, 75-79	N. clavata	Nephilatoxin 9	Amino acid analysis, Activity-studies	Link
Synthetic studies on spider neurotoxins (I): Total synthesis of nephilatoxins (NPTX-9 and NPTX-11), new neurotoxins of Joro spider (Nephila clavata)	M. Miyashita, H. Sato, A. Yoshikoshi, T. Toki, M. Matsushita, H. Irie, T. Yanami, Y. Kikuchi, C. Takasaki, T. Nakajima, Tetrahedron Letters 1992, 33, 2833-2836	N. clavata	NPTX 9	Synthesis, NMR (ns)	Link
Synthesis of the spider toxins Nephilatoxin-9 and -11 by an novel solid-phase synthesis	B. W. Bycroft, W. C. Chan, N. D. Hone, S. Millington, I. A. Nash, JACS 1994, 116, 7415-7416		Nephilatoxin 9 / NPTX 9	Synthesis, NMR	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	N. clavata	NPTX 9	Review	Link
Synthetic studies on nephilatoxins, new neurotoxins of Joro spider (Nephila clavata)	M. Miyashita, Yuki Gosei Kagaku Kyokaishi 1996, 54, 846-858		NPTX 9	Review	Link
Acylpolyamines: Mass spectrometric analytical methods for Araneidae spider acylpolyamines	Y. Itagaki , T. Nakajima , Toxin Rev. 2000, 19, 23-52	N. clavata	NPTX 9	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	N. clavata	NPTX 9	Review	Link

Spider species

Spider species	Family	Discovered
Nephila clavata	Araneidae	1988 / T. Toki

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