L-Homocitrulline

CAT: 0931-T5257-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T5257-01Size:50 mg

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CAS Number

1190-49-4

Target

Endogenous Metabolite

Related Pathways

Metabolism

Purity

0.9994

Bioactivity

L-Homocitrulline (Homocitrulline) is a metabolite that can be detected in larger amounts in the urine of individuals with urea cycle disorders. The accumulation of carbamyl phosphate due to a depleted supply of ornithine for the urea cycle may be responsible for the enhanced synthesis of L-Homocitrulline and homoarginine in some cases.

Smiles

NC(CCCCNC(N)=O)C(O)=O

Molecular Formula

C7H15N3O3

Molecular Weight

189.21

Shipping Conditions

Ice Packs

Storage Temperature

-20°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 Number	1190-49-4
PubChem CID	65072
IUPAC Name	(2S)-2-amino-6-(carbamoylamino)hexanoic acid
Molecular Formula	C7H15N3O3
Molecular Weight	189.21
XLogP	-3.9
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	13
Formal Charge	0
Complexity	184

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

CAS: 1190-49-4

CID: 65072

Formula: C7H15N3O3

MW: 189.21

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	189.21
XLogP3	-3.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	189.11134135
Monoisotopic Mass	189.11134135
Topological Polar Surface Area	118 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	184
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T7507-01	γ-L-Glutamyl-L-alanine
TP3805-01	L-Phenylalanyl-L-threonine
T34020	L-Phenylalanyl-L-leucine
T80096-01	L-Isoleucyl-L-arginine
T21053-01	L-Lysine L-glutamate
T19402-01	L-Valyl-L-phenylalanine

Alternative Products

Catalog	Name
BUP15899-01	L-Homocitrulline
HY-W018004S	L-Homocitrulline-d3
TRC-F679730-250MG	Fmoc-L-homocitrulline
HY-W018004R-01	L-Homocitrulline (Standard)
H07345	L-Homocitrulline 98%

L-Homocitrulline

Chemical Information

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