Lysine tyrosylquinone
(2S)-2-amino-6-[[6-[(2S)-2-amino-2-carboxyethyl]-3,4-dioxocyclohexa-1,5-dien-1-yl]amino]hexanoic acid
Molecular Identity
Lysine tyrosylquinone
(2S)-2-amino-6-[[6-[(2S)-2-amino-2-carboxyethyl]-3,4-dioxocyclohexa-1,5-dien-1-yl]amino]hexanoic acid
PubChem CID: 71464583
5'-(N(6)-L-lysine)-L-tyrosylquinone is an L-lysine derivative in which one of the amino hydrogens at N6-amino is substituted by a 6-[(2S)-2-amino-2-carboxyethyl]-3,4-dioxocyclohexa-1,5-dien-1-yl group. It is a member of 1,2-benzoquinones, a L-lysine derivative, a L-tyrosine derivative and a non-proteinogenic L-alpha-amino acid.
2D Structure
Properties
C15H21N3O6
Molecular Formula
339.34
Molecular Weight
g/mol
339.1430
Exact Mass
Da
-6.2
XLogP
Drug-like (Lipinski: < 5)
173
TPSA
May have limited oral absorption
5
H-Bond Donors
9
H-Bond Acceptors
596
Complexity
SMILES
Canonical SMILES
SMILES: C1=C(C(=CC(=O)C1=O)NCCCCC(C(=O)O)N)CC(C(=O)O)NIsomeric SMILES
SMILES: C1=C(C(=CC(=O)C1=O)NCCCC[C@@H](C(=O)O)N)C[C@@H](C(=O)O)NSynonyms(17)
lysine tyrosylquinoneLysine tyrosyl quinonelysyl oxidase cofactor047HO35WM65'-(N(6)-L-lysine)-L-tyrosylquinoneUNII-047HO35WM6LTQ178989-72-5N(6)-{6-[(2S)-2-amino-2-carboxyethyl]-3,4-dioxocyclohexa-1,5-dien-1-yl}-L-lysine(alphaS)-alpha-Amino-6-(((5S)-5-amino-5-carboxypentyl)amino)-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid1,5-Cyclohexadiene-1-propanoic acid, alpha-amino-6-(((5S)-5-amino-5-carboxypentyl)amino)-3,4-dioxo-, (alphaS)-1-[(S)-5-amino-5-carboxypentyl]amino-2-[(S)-2-amino-2-carboxyethyl]-2,6-cyclohexadien-4,5-dioneSCHEMBL29624550CHEBI:73669Q27143839
Data from PubChem (NCBI)
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