Tìm theo
Quinolinic Acid
Thuốc Gốc
Small Molecule
CAS: 89-00-9
CTHH: C7H5NO4
PTK: 167.1189
A metabolite of tryptophan with a possible role in neurodegenerative disorders. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C7H5NO4
Phân tử khối
167.1189
Monoisotopic mass
167.021857653
InChI
InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChI Key
InChIKey=GJAWHXHKYYXBSV-UHFFFAOYSA-N
IUPAC Name
pyridine-2,3-dicarboxylic acid
Traditional IUPAC Name
quinolinic acid
SMILES
OC(=O)C1=CC=CN=C1C(O)=O
Độ tan chảy
228.5 °C
Độ hòa tan
1.1E+004 mg/L (at 25 °C)
logP
-0.54
logS
-1.6
pKa (strongest acidic)
0.29
pKa (Strongest Basic)
5.26
PSA
87.49 Å2
Refractivity
38.04 m3·mol-1
Polarizability
14.34 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
-2
Number of Rings
1
Bioavailability
1
Rule of Five
true
pKa
2.43
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01796
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=1066
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505240
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C03722
ChemSpider
http://www.chemspider.com/Chemical-Structure.1037.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26115
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