1.0
2011-09-21 00:12:29 UTC
2018-05-28 18:32:40 UTC
FDB022343
1D-Myo-inositol 1,4-bisphosphate
1D-Myo-inositol 1,4-bisphosphate is a substrate for Inositol polyphosphate 1-phosphatase, Phosphatidylinositol 4,5-bisphosphate 5-phosphatase A, Skeletal muscle and kidney enriched inositol phosphatase and Type I inositol-1,4,5-trisphosphate 5-phosphatase. [HMDB]
1D-myo-Inositol 1,4-bisate
1D-myo-Inositol 1,4-bisic acid
1D-Myo-inositol 1,4-bisphosphate
1D-Myo-inositol 1,4-bisphosphic acid
D-myo-Inositol 1,4-bisate
D-myo-Inositol 1,4-bisic acid
D-myo-inositol 1,4-bisphosphate
D-myo-INOSITOL-1,4-bisATE
D-myo-INOSITOL-1,4-bisic acid
Inositol 1,4-bisate
Inositol 1,4-bisic acid
inositol 1,4-bisphosphate
myo-Inositol 1,4-bisate
myo-Inositol 1,4-bisic acid
myo-inositol 1,4-bisphosphate
C6H14O12P2
340.1157
339.996048936
{[(1R,2R,3R,4R,5R,6S)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphonic acid
[(1R,2R,3R,4R,5R,6S)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxyphosphonic acid
47055-78-7
O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O
InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5+,6+/m1/s1
PELZSPZCXGTUMR-RTPHHQFDSA-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
Cyclohexanols
Hydrocarbon derivatives
Monoalkyl phosphates
Organic oxides
Polyols
Aliphatic homomonocyclic compound
Alkyl phosphate
Cyclohexanol
Hydrocarbon derivative
Inositol phosphate
Monoalkyl phosphate
Organic oxide
Organic phosphoric acid derivative
Phosphoric acid ester
Polyol
Secondary alcohol
myo-inositol bisphosphate
Solid
logp
-1.33
logs
-1.14
solubility
2.44e+01 g/l
logp
-4
pka_strongest_acidic
0.86
pka_strongest_basic
-3.7
iupac
{[(1R,2R,3R,4R,5R,6S)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphonic acid
average_mass
340.1157
mono_mass
339.996048936
smiles
O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O
formula
C6H14O12P2
inchi
InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5+,6+/m1/s1
inchikey
PELZSPZCXGTUMR-RTPHHQFDSA-N
polar_surface_area
214.44
refractivity
57.52
polarizability
25.1
rotatable_bond_count
4
acceptor_count
10
donor_count
8
physiological_charge
-4
formal_charge
0
Inositol Metabolism
SMP00011
map00562
Inositol Phosphate Metabolism
SMP00462
map00562
Specdb::MsMs
178521
Specdb::MsMs
178522
Specdb::MsMs
178523
Specdb::MsMs
180840
Specdb::MsMs
180841
Specdb::MsMs
180842
Specdb::MsMs
2340993
Specdb::MsMs
2340994
Specdb::MsMs
2340995
Specdb::MsMs
2593861
Specdb::MsMs
2593862
Specdb::MsMs
2593863
Specdb::NmrOneD
332978
Specdb::NmrOneD
332979
Specdb::NmrOneD
332980
Specdb::NmrOneD
332981
Specdb::NmrOneD
332982
Specdb::NmrOneD
332983
Specdb::NmrOneD
332984
Specdb::NmrOneD
332985
Specdb::NmrOneD
332986
Specdb::NmrOneD
332987
Specdb::NmrOneD
332988
Specdb::NmrOneD
332989
Specdb::NmrOneD
332990
Specdb::NmrOneD
332991
Specdb::NmrOneD
332992
Specdb::NmrOneD
332993
Specdb::NmrOneD
332994
Specdb::NmrOneD
332995
Specdb::NmrOneD
332996
Specdb::NmrOneD
332997
Specdb::CMs
2605
Specdb::CMs
37869
Specdb::CMs
132377
Specdb::CMs
140111
Specdb::CMs
1082523
Specdb::CMs
1082524
Specdb::CMs
1082525
Specdb::CMs
1082526
Specdb::CMs
1082527
Specdb::CMs
1082528
Specdb::CMs
1082529
Specdb::CMs
1082530
Specdb::CMs
1082531
Specdb::CMs
1082532
Specdb::CMs
1082533
Specdb::CMs
1082534
Specdb::CMs
1082535
Specdb::CMs
1082536
Specdb::CMs
1082537
Specdb::CMs
1082538
Specdb::CMs
1082539
Specdb::CMs
1082540
Specdb::CMs
1082541
Specdb::CMs
1082542
Specdb::CMs
1082543
HMDB00968
17816
#<Reference:0x00005556735d7248>
#<Reference:0x00005556735d7018>
#<Reference:0x00005556735d6dc0>
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823
Glycophorin-B
P06028
GYPB
Inositol polyphosphate 5-phosphatase K
Q9BT40
INPP5K
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2
O15357
INPPL1
Phosphatidylinositol 4,5-bisphosphate 5-phosphatase A
Q15735
INPP5J