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Ac3343

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / A. aperta
Synonym	—
Molecular formula	C₁₅H₃₅N₅O
CAS	849150-19-2
SMILES	`CC(NCCCNCCCNCCCCNCCCN)=O`
InChI	`InChI=1S/C15H35N5O/c1-15(21)20-14-6-13-19-12-5-11-18-9-3-2-8-17-10-4-7-16/h17-19H,2-14,16H2,1H3,(H,20,21)`

Precursor 1 [M+H]⁺	302.29144
Precursor 2 [M+2H]²⁺	151.64936
Precursor 3

HDX	6
Precursor HDX 1 [M(D₆)+D]⁺	309.33537
Precursor HDX 2 [M(D₆)+2D]²⁺	155.67446
Precursor HDX 3

Rt	1.13
Rt HDX	1.10

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	100.07569	82.06513	83.04914	117.10224	58.06513	41.03858	75.09167
2	157.13354	139.12297	140.10699	174.16009	129.13862	112.11208	146.16517
3	228.20704	210.19647	211.18049	245.23359	186.19647	169.16993	203.22302
4	285.26489	267.25432	268.23834	302.29144	243.25432	226.22777	260.28087

Additional MS/MS fragments

m/z	Annotation

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	302.29144	Ac3334	A. aperta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX	Ac3334	A. aperta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	302.29144	Ac3334	A. potteri	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX	Ac3334	A. potteri	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	302.29144	Ac3343	H. curta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX	Ac3343	H. curta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	302.29144	Ac3334	Hololena sp.	Spider Pharm, USA	Y. M. Forster
Data	HDX	Ac3334	Hololena sp.	Spider Pharm, USA	Y. M. Forster

References

Title	Reference	Spider	Name	Content	Link
Lipopolysaccharide sequestrants: Structural correlates of activity and toxicity in novel acylhomospermines	K. A. Miller, E. V. Suresh Kumar, S. J. Wood, J. R. Cromer, A. Datta, S. A. David, J. Med. Chem. 2005, 48, 2589-2599	—	(4a)	Synthesis, NMR, Activity-studies	Link
Structural correlates of antibacterial and membrane-permeabilizing activities in acylpolyamines	R. Balakrishna, S. J. Wood, T. B. Nguyen, K. A. Miller, E. V. Suresh Kumar, A. Datta, S. A. David, Antimicrobial agents and Chemotherapy 2006, 50, 852-861	—	(4a)	Activity-studies	Link
Modeling the LPS neutralization activity of anti-endotoxins	C. Thippakorn, T. Suksrichavalit, C. Nantasenamat, T. Tantimongcolwat, C. Isarankura-Na-Ayudhya, T. Naenna, V. Prachayasittikul, Molecules 2009, 14, 1869-1888	—	(1)	Activity-modeling-calculations	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
Agelenopsis aperta	Agelenidae	2020 / Y. M. Forster
Agelenopsis potteri	Agelenidae	2020 / Y. M. Forster
Hololena curta	Agelenidae	2020 / Y. M. Forster
Hololena sp.	Agelenidae	2020 / Y. M. Forster

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