L-Homocitrulline is metabolized into homoarginine through homoargininosuccinate obtained through the urea cycle. Abnormal metabolism of L-Homocitrulline can lead to lysinuria protein intolerance (LPI).

Physicochemical Properties

Molecular Formula	C7H15N3O3
Molecular Weight	189.21
Exact Mass	189.111
CAS #	1190-49-4
PubChem CID	65072
Appearance	White to off-white solid powder
Density	1.241±0.06 g/cm3
Boiling Point	393.0±42.0 °C at 760 mmHg
Melting Point	211-212 ºC (decomp)
Flash Point	191.5±27.9 °C
Vapour Pressure	0.0±1.9 mmHg at 25°C
Index of Refraction	1.525
LogP	-1.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	13
Complexity	184
Defined Atom Stereocenter Count	1
SMILES	C(CCNC(=O)N)C[C@@H](C(=O)O)N
InChi Key	XIGSAGMEBXLVJJ-YFKPBYRVSA-N
InChi Code	InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1
Chemical Name	(2S)-2-amino-6-(carbamoylamino)hexanoic acid
Synonyms	NSC-27428; NSC 27428; Homocitrulline
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

References

[1]. Homocitrullinuria and homoargininuria in lysinuric protein intolerance. J Inherit Metab Dis. 1989;12(2):157-61.

Additional Infomation

L-homocitrulline is a L-lysine derivative that is L-lysine having a carbamoyl group at the N(6)-position. It is found in individuals with urea cycle disorders. It has a role as a mouse metabolite and a human metabolite. It is a member of ureas, a L-lysine derivative and a non-proteinogenic L-alpha-amino acid. It is a tautomer of a L-homocitrulline zwitterion. L-Homocitrulline has been reported in Apis cerana with data available.

Solubility Data

Solubility (In Vitro)	H2O : ~33.33 mg/mL (~176.15 mM) DMSO :< 1 mg/mL
Solubility (In Vivo)	Solubility in Formulation 1: 50 mg/mL (264.26 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	5.2851 mL	26.4257 mL	52.8513 mL
	5 mM	1.0570 mL	5.2851 mL	10.5703 mL
	10 mM	0.5285 mL	2.6426 mL	5.2851 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.