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4-OH-IndAcAsn5Gly4

General Description

Name	Value
Level	S-4 / C-3
Discovered	1997 / N. borbonica
Synonym	NPTX 517 / NPTX 517C
Molecular formula	C₂₅H₃₉N₇O₅
CAS	—
SMILES	`O=C(CC1=CNC2=C1C(O)=CC=C2)NC(CC(N)=O)C(NCCCCCNC(CNCCCCN)=O)=O`
InChI	`InChI=1S/C25H39N7O5/c26-9-2-5-10-28-16-23(36)29-11-3-1-4-12-30-25(37)19(14-21(27)34)32-22(35)13-17-15-31-18-7-6-8-20(33)24(17)18/h6-8,15,19,28,31,33H,1-5,9-14,16,26H2,(H2,27,34)(H,29,36)(H,30,37)(H,32,35)`

Precursor 1 [M+H]⁺	518.30854
Precursor 2 [M+2H]²⁺	259.65791
Precursor 3

HDX	10
Precursor HDX 1 [M(D₁₀)+D]⁺	529.37759
Precursor HDX 2 [M(D₁₀)+2D]²⁺	265.69557
Precursor HDX 3

Rt
Rt HDX

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	288.09788	270.08732	271.07133	305.12443	72.08078	55.05423	89.10732
2	373.18703	355.17647	356.16048	390.21358	129.10224	112.07569	146.12879
3	430.20850	412.19793	413.18195	447.23504	214.19139	197.16484	231.21794
4	501.28199	483.27143	484.25545	518.30854	328.23432	311.20777	345.26087

Additional MS/MS fragments

m/z	Annotation
146.06004	a’
174.05495	a0

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author

References

Title	Reference	Spider	Name	Content	Link
Detection of new spider toxins from a Nephilengys borbonica venom gland using on-line µ-column HPLC continuous flow (FRIT) FAB LC/MS and MS/MS	Y. Itagaki, T. Fujita, H. Naoki, T. Yasuhara, M. Andriantsiferana, T. Nakajima, Nat. Toxins 1997, 5, 1-13	N. borbonica	NPTX 517	LC-FAB-MS	Link
Mass spectrometric structure determination of spider toxins: Arginine-containing acylpolyamines from venoms of Brazilian garden spider Nephilengys cruentata	M. S. Palma, Y. Itagaki, T. Fujita, M. Hisada, H. Naoki, T. Nakajima, Nat. Toxins 1997, 5, 47-57	N. cruentata		MS/MS (ns)	Link
Acylpolyamines: Mass spectrometric analytical methods for Araneidae spider acylpolyamines	Y. Itagaki , T. Nakajima , Toxin Rev. 2000, 19, 23-52	N. borbonica & N. cruentata	NPTX 517C	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 517C	LC-MS	Link

Spider species

Spider species	Family	Discovered
Nephila clavata	Araneidae	2005 / M. S. Palma
Trichonephila inaurata madagascariensis	Araneidae	2005 / M. S. Palma
Nephilingis borbonica	Araneidae	1997 / Y. Itagaki
Nephilingis cruentata	Araneidae	1997 / M. S. Palma

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