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Record Information
Version3.6
Creation Date2008-08-12 13:58:54 UTC
Update Date2016-02-11 01:07:58 UTC
HMDB IDHMDB06814
Secondary Accession NumbersNone
Metabolite Identification
Common Name1D-myo-Inositol 3-phosphate
Description1D-myo-Inositol 3-phosphate is involved in the inositol phosphate metabolism and the phosphatidylinositol signaling systems. With regards to the inositol phosphate metabolism system, 1D-myo-Inositol 3-phosphate is created from D-myo-Inositol 3,4-bisphosphate by inositol polyphosphate-4-phosphatase (EC:3.1.3.66) and is converted to myo-Inositol by myo-inositol-1(or 4)-monophosphatase (EC:3.1.3.25). Within the phosphatidylinositol signaling system, 1D-myo-Inositol 3-phosphate is created from D-myo-Inositol 3,4-bisphosphate by inositol polyphosphate-4-phosphatase (EC:3.1.3.66) and is converted to myo-Inositol by myo-inositol-1(or 4)-monophosphatase (EC:3.1.3.25).
Structure
Thumb
Synonyms
ValueSource
1D-myo-Inositol 3-monophosphateHMDB
1l-myo-Inositol 1-phosphateHMDB
D-myo-Inositol 3-monophosphateHMDB
D-myo-Inositol 3-phosphateHMDB
Inositol 3-monophosphateHMDB
Inositol 3-phosphateHMDB
L-myo-Inositol 1-phosphateHMDB
myo-Inositol 3-monophosphateHMDB
myo-Inositol 3-phosphateHMDB
Chemical FormulaC6H13O9P
Average Molecular Weight260.1358
Monoisotopic Molecular Weight260.029718526
IUPAC Name{[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid
Traditional Name[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphonic acid
CAS Registry Number2831-74-5
SMILES
OC1[C@H](O)[C@H](O)C(OP(O)(O)=O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1?,2-,3+,4-,5-,6?/m0/s1
InChI KeyInChIKey=INAPMGSXUVUWAF-LXOASSSBSA-N
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.
KingdomOrganic compounds
Super ClassOrganooxygen compounds
ClassAlcohols and polyols
Sub ClassCyclic alcohols and derivatives
Direct ParentInositol phosphates
Alternative Parents
Substituents
  • Inositol phosphate
  • Monoalkyl phosphate
  • Cyclohexanol
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Organic phosphate
  • Secondary alcohol
  • Polyol
  • 1,2-diol
  • Hydrocarbon derivative
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility39.5 mg/mLALOGPS
logP-2ALOGPS
logP-3.9ChemAxon
logS-0.82ALOGPS
pKa (Strongest Acidic)1.16ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area167.91 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity46.65 m3·mol-1ChemAxon
Polarizability20.65 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
SpectraNot Available
Biological Properties
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationNot Available
Pathways
NameSMPDB LinkKEGG Link
Inositol MetabolismSMP00011map00562
Inositol Phosphate MetabolismSMP00462map00562
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
DrugBank Metabolite IDNot Available
Phenol Explorer Compound IDNot Available
Phenol Explorer Metabolite IDNot Available
FoodDB IDFDB024095
KNApSAcK IDNot Available
Chemspider ID389182
KEGG Compound IDC04006
BioCyc IDNot Available
BiGG ID42948
Wikipedia LinkNot Available
NuGOwiki LinkHMDB06814
Metagene LinkHMDB06814
METLIN IDNot Available
PubChem Compound440194
PDB IDNot Available
ChEBI ID18169
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in inositol or phosphatidylinositol phosphatase activity
Specific function:
Responsible for the provision of inositol required for synthesis of phosphatidylinositol and polyphosphoinositides and has been implicated as the pharmacological target for lithium action in brain. Can use myo-inositol monophosphates, myo-inositol 1,3-diphosphate, myo-inositol 1,4-diphosphate, scyllo-inositol-phosphate, glucose-1-phosphate, glucose-6-phosphate, fructose-1-phosphate, beta-glycerophosphate, and 2'-AMP as substrates.
Gene Name:
IMPA1
Uniprot ID:
P29218
Molecular weight:
36694.375
General function:
Involved in inositol or phosphatidylinositol phosphatase activity
Specific function:
Can use myo-inositol monophosphates, scylloinositol 1,4-diphosphate, glucose-1-phosphate, beta-glycerophosphate, and 2'-AMP as substrates. Has been implicated as the pharmacological target for lithium Li(+) action in brain.
Gene Name:
IMPA2
Uniprot ID:
O14732
Molecular weight:
31320.525
General function:
Involved in phosphatidyl-inositol-4,5-bisphosphate 4-ph
Specific function:
Catalyzes the hydrolysis of the 4-position phosphate of phosphatidylinositol 3,4-bisphosphate, inositol 1,3,4-trisphosphate and inositol 1,4-bisphosphate.
Gene Name:
INPP4B
Uniprot ID:
O15327
Molecular weight:
104737.105
General function:
Involved in inositol-3-phosphate synthase activity
Specific function:
Key enzyme in myo-inositol biosynthesis pathway that catalyzes the conversion of glucose 6-phosphate to 1-myo-inositol 1-phosphate in a NAD-dependent manner. Rate-limiting enzyme in the synthesis of all inositol-containing compounds.
Gene Name:
ISYNA1
Uniprot ID:
Q9NPH2
Molecular weight:
55135.445
General function:
Involved in phosphatidyl-inositol-4,5-bisphosphate 4-ph
Specific function:
Catalyzes the hydrolysis of the 4-position phosphate of phosphatidylinositol 3,4-bisphosphate, inositol 1,3,4-trisphosphate and inositol 3,4-bisphosphate.
Gene Name:
INPP4A
Uniprot ID:
Q96PE3
Molecular weight:
109954.68