Tìm theo
Methylmalonic Acid
Thuốc Gốc
Small Molecule
CAS: 516-05-2
CTHH: C4H6O4
PTK: 118.088
A malonic acid derivative which is a vital intermediate in the metabolism of fat and protein. Abnormalities in methylmalonic acid metabolism lead to methylmalonic aciduria. This metabolic disease is attributed to a block in the enzymatic conversion of methylmalonyl CoA to succinyl CoA. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C4H6O4
Phân tử khối
118.088
Monoisotopic mass
118.02660868
InChI
InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
InChI Key
InChIKey=ZIYVHBGGAOATLY-UHFFFAOYSA-N
IUPAC Name
2-methylpropanedioic acid
Traditional IUPAC Name
methylmalonic acid
SMILES
CC(C(O)=O)C(O)=O
Độ tan chảy
135 dec °C
Độ hòa tan
6.79E+005 mg/L (at 25 °C)
logP
0.21
logS
0.1
pKa (strongest acidic)
2.48
PSA
74.6 Å2
Refractivity
23.56 m3·mol-1
Polarizability
10.06 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
-2
Number of Rings
0
Bioavailability
1
Rule of Five
true
pKa
3.12 (at 20 °C)
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04183
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=487
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506625
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C02170
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