Tìm theo
D-Myo-Inositol-1,4,5-Triphosphate
Thuốc Gốc
Small Molecule
CTHH: C6H15O15P3
PTK: 420.0956
Intracellular messenger formed by the action of phospholipase C on phosphatidylinositol 4,5-bisphosphate, which is one of the phospholipids that make up the cell membrane. Inositol 1,4,5-trisphosphate is released into the cytoplasm where it releases calcium ions from internal stores within the cell's endoplasmic reticulum. These calcium ions stimulate the activity of B kinase or calmodulin. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H15O15P3
Phân tử khối
420.0956
Monoisotopic mass
419.962379346
InChI
InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3-,4+,5+,6-/m1/s1
InChI Key
InChIKey=MMWCIQZXVOZEGG-WZWPATEWSA-N
IUPAC Name
{[(1S,2R,3R,4S,5R,6R)-2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Traditional IUPAC Name
[(1S,2R,3R,4S,5R,6R)-2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid
SMILES
O[C@@H]1[C@@H](O)[C@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H](O)[C@H]1OP(O)(O)=O
Độ hòa tan
1.48e+01 g/l
logP
-4.2
logS
-1.4
pKa (strongest acidic)
0.54
pKa (Strongest Basic)
-3.7
PSA
260.97 Å2
Refractivity
68.39 m3·mol-1
Polarizability
29.6 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
12
H Bond Donor Count
9
Physiological Charge
-6
Number of Rings
1
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03401
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=10342059
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506346
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