delta-Valerobetaine is the precursor of trimethylamine N-oxide (TMAO).

Physicochemical Properties

Molecular Formula	C8H17NO2
Molecular Weight	159.2260825634
Exact Mass	159.125
CAS #	6778-33-2
PubChem CID	14274897
Appearance	White to off-white solid powder
LogP	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	11
Complexity	121
Defined Atom Stereocenter Count	0
SMILES	[O-]C(CCCC[N+](C)(C)C)=O
InChi Key	CDLVFVFTRQPQFU-UHFFFAOYSA-N
InChi Code	InChI=1S/C8H17NO2/c1-9(2,3)7-5-4-6-8(10)11/h4-7H2,1-3H3
Chemical Name	5-(trimethylazaniumyl)pentanoate
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	Meat from ruminants had much higher amounts of delta-valerobetaine than meat from non-ruminants, with cattle having higher levels of the compound than sheep and goats. Compared to their meat, ruminant milk has substantially less delta-valerobetaine. Nonetheless, ruminant milk has a significantly greater delta-valerobetaine content than non-ruminant milk. Research indicates that ruminal fluid treated with labeled Nε-trimethyllysine rapidly forms labeled delta-valerobetaine[1].
References	[1]. Ruminant meat and milk contain δ-valerobetaine, another precursor of trimethylamine N-oxide (TMAO) like γ-butyrobetaine. Food Chem. 2018 Sep 15;260:193-199.
Additional Infomation	5-aminovaleric acid betaine is a straight-chain fatty acid.

Solubility Data

Solubility (In Vitro)	H2O : ~125 mg/mL (~785.03 mM)
Solubility (In Vivo)	Solubility in Formulation 1: 100 mg/mL (628.02 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	6.2802 mL	31.4011 mL	62.8022 mL
	5 mM	1.2560 mL	6.2802 mL	12.5604 mL
	10 mM	0.6280 mL	3.1401 mL	6.2802 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.