Common molecules sample 50981

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Empirical formula:	C₄H₁₁N₁O₃
a:	17.964 Å
b:	8.716 Å
c:	8.172 Å
α (alpha):	90.00 °
β (beta):	90.00 °
γ (gamma):	90.00 °
Volume:	1279.52 Å³
Space group:	Pbca
Calculated density:	1.258 g/cm³
Z:	8
Temperature:	22.0 °C
Formula weight:	121.136 g/mole
R(F):	0.0400
Structural formula:	C₄H₉N₁O₂, H₂O₁
Common name:	DL-3-Aminoisobutyric acid monohydrate
CSD refcode:	NUNFIL
Empirical formula - less solvent:	C₄H₉N₁O₂
Keyword:	fungicide
Short description:	Aminoisobutyric acid monohydrate is a non-protein amino acid, which posses an antifungal activity.
Layman's explanation:	DL-3-amino-n-butanoic acid is a non-protein amino acid, also known as β-aminobutyric acid or BABA, which posses an antifungal activity. This amino acid can induce local and systemic resistance against downy mildew in grape leaves. BABA is beleaved to alters cell wall structure or metabolism in tomato plants and thus making the tissues more resistant to fungal enzyme attacks.
Citation of a publication:	A.J.Dobson, R.E.Gerkin; Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 54, (1998), 972
Lab name:	Common molecules
Sample provider:	Obtained courtesy of the Cambridge Structural Database
Status:	Complete, visible to public

Repository Files:
50981.crt	50981.gif	50981.ort	50981.pdb	50981.sdt
50981f.crt	50981f.pdb	50981f.sdt