Inositol cyclic phosphate (CHEM035085)

Record Information
Version1.0
Creation Date2016-05-26 05:28:40 UTC
Update Date2026-08-23 05:42:32 UTC
Accession NumberCHEM035085
Identification
Common NameInositol cyclic phosphate
ClassSmall Molecule
Description
Contaminant Sources
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
D-Myo-inositol 1,2-cyclic phosphateChEBI
Myo-inositol 1,2-cyclic phosphateChEBI
1D-Myo-inositol 1,2-cyclic phosphateKegg
D-Myo-inositol 1,2-cyclic phosphoric acidGenerator
Myo-inositol 1,2-cyclic phosphoric acidGenerator
1D-Myo-inositol 1,2-cyclic phosphoric acidGenerator
Inositol cyclic phosphoric acidGenerator
Inositol 1,2-cyclic phosphateHMDB
Inositol cyclic-1,2-monophosphateHMDB
Inositol cyclic phosphate, (D)-isomerHMDB
Myoinositol 1,2-cyclic phosphateHMDB
Inositol cyclic phosphateMeSH
Chemical FormulaC6H11O8P
Average Molecular Mass242.121 g/mol
Monoisotopic Mass242.019 g/mol
CAS Registry Number43119-57-9
IUPAC Name(3aR,4R,5S,6S,7R,7aS)-2,4,5,6,7-pentahydroxy-hexahydro-2H-1,3,2λ⁵-benzodioxaphosphol-2-one
Traditional Nameinositol 1,2-cyclic phosphate
SMILESO[C@H]1[C@H]2OP(O)(=O)O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O
InChI IdentifierInChI=1S/C6H11O8P/c7-1-2(8)4(10)6-5(3(1)9)13-15(11,12)14-6/h1-10H,(H,11,12)/t1-,2-,3+,4+,5-,6+/m0/s1
InChI KeySXHMVNXROAUURW-FTYOSCRSSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as organic phosphoric acids and derivatives. These are organic compounds containing phosphoric acid or a derivative thereof.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic phosphoric acids and derivatives
Sub ClassNot Available
Direct ParentOrganic phosphoric acids and derivatives
Alternative Parents
Substituents
  • Organic phosphoric acid derivative
  • Cyclitol or derivatives
  • 1,3_dioxaphospholane
  • Cyclic alcohol
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility55 g/LALOGPS
logP-1.9ALOGPS
logP-3ChemAxon
logS-0.64ALOGPS
pKa (Strongest Acidic)1.78ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area136.68 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity42.87 m³·mol⁻¹ChemAxon
Polarizability19.03 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0001125
FooDB IDFDB022438
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN ID6020
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID109081
ChEBI ID18426
PubChem Compound ID122331
Kegg Compound IDC04299
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Connolly T M; Wilson D B; Bross T E; Majerus P W Isolation and characterization of the inositol cyclic phosphate products of phosphoinositide cleavage by phospholipase C. Metabolism in cell-free extracts. The Journal of biological chemistry (1986), 261(1), 122-6.
2. Shak S, Davitz MA, Wolinsky ML, Nussenzweig V, Turner MJ, Gurnett A: Partial characterization of the cross-reacting determinant, a carbohydrate epitope shared by decay accelerating factor and the variant surface glycoprotein of the African Trypanosoma brucei. J Immunol. 1988 Mar 15;140(6):2046-50.
3. Siess W, Lapetina EG: Properties and distribution of phosphatidylinositol-specific phospholipase C in human and horse platelets. Biochim Biophys Acta. 1983 Jul 12;752(2):329-38.
4. Broomfield SJ, Hooper NM: Characterization of an antibody to the cross-reacting determinant of the glycosyl-phosphatidylinositol anchor of human membrane dipeptidase. Biochim Biophys Acta. 1993 Feb 9;1145(2):212-8.
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=11417877
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=2450138
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=6860706
8. https://www.ncbi.nlm.nih.gov/pubmed/?term=7679286
9. https://www.ncbi.nlm.nih.gov/pubmed/?term=9214296