Basic information
- CAS
1190-49-4- Standard SMILES
NC(=O)NCCCC[C@H](N)C(=O)O- InChIKey
XIGSAGMEBXLVJJ-YFKPBYRVSA-N- Molecular formula
- C7H15N3O3
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.11134135
Overview
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.
Names & identifiers
- Preferred name
- Homocitrulline
- IUPAC
- (2S)-2-amino-6-(carbamoylamino)hexanoic acid
- English name
- L-HOMOCITRULLINE
- Molecular formula
- C7H15N3O3
- Molecular weight
- 189.21
Names & synonyms
L-Homocitrulline1190-49-4Homocitrulline(2S)-2-amino-6-(carbamoylamino)hexanoic acidHomocitrulline, L-N(6)-(aminocarbonyl)-L-lysineL-Lysine, N(6)-(aminocarbonyl)-133T7A0Y5KDTXSID301317386(2S)-2-azaniumyl-6-(carbamoylamino)hexanoateCHEBI:17443NSC-27428
Show more names
H-HCI-OHH-Hcit-OHNSC 27428H-HOCIT-OHH-HOMOCIT-OHH-L-HoCit-OHL-HoMocit-OHH-LYS(CONH2)-OH
ureidocaproic acidRefChem:923043DTXCID901747202214-722-0(S)-2-Amino-6-ureidohexanoic acidN6-carbamoyl-L-LysineL-Lysine, N6-(aminocarbonyl)-Homo-L-citrulline
Database identifiers
- CAS
1190-49-4- PubChem CID
- 65072
- DTXSID
DTXSID301317386- ChEBI
CHEBI:17443- UNII
- 133T7A0Y5K
Properties
Computed structural properties
- XLogP
- -3.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Experimental & physicochemical properties
Solubility600 mg/mL
Melting Point211 - 212 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 211 · 211-212℃ (decomposition)
- Boiling point
- 393 · 393.0±42.0 °C(Predicted)
- Density
- 1.24 · 1.24
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Aqueous Acid (Sparingly), Water (Slightly)
- form
- Solid
- pka
- 2.53 · 2.53±0.25(Predicted)
- color
- White to Off-White
- CAS DataBase Reference
- 1190 · 1190-49-4(CAS DataBase Reference)
- FDA UNII
- 133 T7A0Y5K · 133T7A0Y5K
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
Applications
UsesL-Homocitrulline is an analogue of L-Citrulline (C535700), and is an amino acid that occurs in milk products.
Suppliers93 total
北京华美互利生物化工010-56205725 · [email protected]
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Related reactions
0 records
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Compound notes
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