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(Q83023916)
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English
alpha-Agatoxin AG 468
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
PA3 polyamine alkaloid
0 references
spermine
0 references
mass
468.342403888
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₄₄N₆O₄
0 references
canonical SMILES
C1=CC(=C(C=C1O)C(=O)NCCCN(CCCNCCCNCCCCNCCCN)O)O
0 references
found in taxon
Agelenopsis aperta
3 references
stated in
The Acylpolyamines from the Venom of the SpiderAgelenopsis aperta
stated in
Isolation, structure elucidation, and synthesis of novel hydroxylamine-containing polyamines from the venom of the Agelenopsis aperta spider
stated in
Isolation, structure elucidation, and synthesis of novel hydroxylamine-containing polyamines from the venom of the Agelenopsis aperta spider
Identifiers
InChI
InChI=1S/C23H44N6O4/c24-9-3-12-25-10-1-2-11-26-13-4-14-27-15-5-17-29(33)18-6-16-28-23(32)21-19-20(30)7-8-22(21)31/h7-8,19,25-27,30-31,33H,1-6,9-18,24H2,(H,28,32)
0 references
InChIKey
QBHKCXPTYJQDLE-UHFFFAOYSA-N
0 references
CAS Registry Number
128549-99-5
0 references
PubChem CID
182910
1 reference
matched by identifier from
InChIKey
InChIKey
QBHKCXPTYJQDLE-UHFFFAOYSA-N
UniChem compound ID
32036306
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60155924
1 reference
matched by identifier from
InChIKey
InChIKey
QBHKCXPTYJQDLE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID4078415
0 references
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