1.0
2011-09-21 00:26:44 UTC
2015-07-21 06:57:36 UTC
FDB023237
1-Phosphatidyl-1D-myo-inositol 3-phosphate
1-Phosphatidyl-1D-myo-inositol 3-phosphate is a substrate for FYVE finger-containing phosphoinositide kinase and Neutrophil cytosol factor 4. [HMDB]
1-Atidyl-1D-myo-inositol 3-ate
1-Phosphatidyl-1D-myo-inositol 3-phosphate
1-Phosphatidyl-1D-myo-inositol 3-phosphic acid
Atidylinositol 3-ate
Phosphatidylinositol 3-phosphate
C11H20O16P2
470.2144
470.022657616
(2R)-2-({[hydroxy({[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy})phosphoryl]oxy}methyl)butanedioic acid
(2R)-2-[({hydroxy[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxyphosphoryl}oxy)methyl]butanedioic acid
O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(=O)OC[C@@H](CC(O)=O)C(O)=O)[C@@H]1O
InChI=1S/C11H20O16P2/c12-4(13)1-3(11(18)19)2-25-29(23,24)27-10-7(16)5(14)6(15)9(8(10)17)26-28(20,21)22/h3,5-10,14-17H,1-2H2,(H,12,13)(H,18,19)(H,23,24)(H2,20,21,22)/t3-,5+,6+,7-,8-,9-,10+/m1/s1
YKMGQFUXYYTRLF-SLJXNWFNSA-N
belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.
Inositol phosphates
Organic compounds
Organic oxygen compounds
Organooxygen compounds
Alcohols and polyols
Aliphatic homomonocyclic compounds
Carbonyl compounds
Carboxylic acids
Cyclohexanols
Dialkyl phosphates
Dicarboxylic acids and derivatives
Fatty acids and conjugates
Hydrocarbon derivatives
Monoalkyl phosphates
Organic oxides
Polyols
Aliphatic homomonocyclic compound
Alkyl phosphate
Carbonyl group
Carboxylic acid
Carboxylic acid derivative
Cyclohexanol
Dialkyl phosphate
Dicarboxylic acid or derivatives
Fatty acid
Hydrocarbon derivative
Inositol phosphate
Monoalkyl phosphate
Organic oxide
Organic phosphoric acid derivative
Phosphoric acid ester
Polyol
Secondary alcohol
Solid
logp
-1.58
logs
-1.29
solubility
2.42e+01 g/l
logp
-4.3
pka_strongest_acidic
1.08
pka_strongest_basic
-3.7
iupac
(2R)-2-({[hydroxy({[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy})phosphoryl]oxy}methyl)butanedioic acid
average_mass
470.2144
mono_mass
470.022657616
smiles
O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(=O)OC[C@@H](CC(O)=O)C(O)=O)[C@@H]1O
formula
C11H20O16P2
inchi
InChI=1S/C11H20O16P2/c12-4(13)1-3(11(18)19)2-25-29(23,24)27-10-7(16)5(14)6(15)9(8(10)17)26-28(20,21)22/h3,5-10,14-17H,1-2H2,(H,12,13)(H,18,19)(H,23,24)(H2,20,21,22)/t3-,5+,6+,7-,8-,9-,10+/m1/s1
inchikey
YKMGQFUXYYTRLF-SLJXNWFNSA-N
polar_surface_area
278.04
refractivity
83.63
polarizability
36.85
rotatable_bond_count
10
acceptor_count
13
donor_count
9
physiological_charge
-5
formal_charge
0
Inositol Metabolism
SMP00011
map00562
Specdb::CMs
12666
Specdb::CMs
38662
Specdb::MsMs
182919
Specdb::MsMs
182920
Specdb::MsMs
182921
Specdb::MsMs
183267
Specdb::MsMs
183268
Specdb::MsMs
183269
HMDB03850
17283
#<Reference:0x0000555673ba6bd8>
Type I inositol 3,4-bisphosphate 4-phosphatase
Q96PE3
INPP4A
Type II inositol 3,4-bisphosphate 4-phosphatase
O15327
INPP4B