Tìm theo
Phosphonotyrosine
Thuốc Gốc
Small Molecule
CAS: 21820-51-9
CTHH: C9H12NO6P
PTK: 261.1684
An amino acid that occurs in endogenous proteins. Tyrosine phosphorylation and dephosphorylation plays a role in cellular signal transduction and possibly in cell growth control and carcinogenesis. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H12NO6P
Phân tử khối
261.1684
Monoisotopic mass
261.040223633
InChI
InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
InChI Key
InChIKey=DCWXELXMIBXGTH-QMMMGPOBSA-N
IUPAC Name
(2S)-2-amino-3-[4-(phosphonooxy)phenyl]propanoic acid
Traditional IUPAC Name
phosphonotyrosine
SMILES
N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O
Độ hòa tan
1.93e+00 g/l
logP
-1.5
logS
-2.1
pKa (strongest acidic)
1.38
pKa (Strongest Basic)
9.46
PSA
130.08 Å2
Refractivity
57.97 m3·mol-1
Polarizability
22.7 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
6
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01962
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=30819
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507690
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C06501
ChemSpider
http://www.chemspider.com/Chemical-Structure.3781655.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22597
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