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L-Homocitrulline

CAT: 0572-TRC-H590900-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H590900-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1190-49-4
Synonyms
N6-(Aminocarbonyl)-L-lysine; Lysine, N6-carbamoyl- (6CI,7CI); Lysine, N6-carbamoyl-, L- (8CI); N6-(Aminocarbonyl)-L-lysine; Homo-L-citrulline; Homocitrulline; L-Homocitrulline; N-ε-Carbamyl-L-lysine; NSC 27428
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
N[C@@H](CCCCNC(=O)N)C(=O)O
Molecular Formula
C7 H15 N3 O3
Molecular Weight
189.21
InChI
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
Additionnal Information
IUPAC name: (2S)-2-amino-6-(carbamoylamino)hexanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Homocitrulline

L-homocitrulline is a L-lysine derivative that is L-lysine having a carbamoyl group at the N6-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 L-lysine derivative, a member of ureas and a non-proteinogenic L-alpha-amino acid. It is a tautomer of a L-homocitrulline zwitterion.

CAS Number1190-49-4
PubChem CID65072
IUPAC Name(2S)-2-amino-6-(carbamoylamino)hexanoic acid
Molecular FormulaC7H15N3O3
Molecular Weight189.21
XLogP-3.9
Topological Polar Surface Area118
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count13
Formal Charge0
Complexity184
SMILES
C(CCNC(=O)N)C[C@@H](C(=O)O)N
InChI
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
InChIKey
XIGSAGMEBXLVJJ-YFKPBYRVSA-N
Chemical Structure
2D Structure
2D structure of Homocitrulline
CAS: 1190-49-4
CID: 65072
Formula: C7H15N3O3
MW: 189.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.21
XLogP3-3.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass189.11134135
Monoisotopic Mass189.11134135
Topological Polar Surface Area118 Ų
Heavy Atom Count13
Formal Charge0
Complexity184
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-285777Fmoc-L-homocitrulline
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