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L-Homocitrulline

CAT: 0957-S6128Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S6128Size:25 mg
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Description
L-Homocitrulline (N (6) -carbamoyl-L-lysine) is an amino acid and a metabolite of ornithine in mammalian metabolism.
CAS Number
1190-49-4
Synonyms
N (6) -carbamoyl-L-lysine
Target
Others
Activity
Others
Molecular Formula
C7H15N3O3
Storage Conditions
3 years -20°C powder

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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BUP15899-01L-Homocitrulline
HY-W018004SL-Homocitrulline-d3
TRC-F679730-250MGFmoc-L-homocitrulline
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H07345L-Homocitrulline 98%

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