1D-myo-inositol 6-phosphate
PubChem CID
161368
Structure
Molecular Formula
Synonyms
- 1D-myo-inositol 6-phosphate
- Ins6P
- Inositol 4-monophosphate
- Ins(6)P
- D-myo-inositol (6)-phosphate
Molecular Weight
260.14 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-08
- Modify:2025-01-18
Description
1D-myo-inositol 6-phosphate is a myo-inositol monophosphate in which the phosphate group is located at position 6. It has a role as a metabolite. It is functionally related to a myo-inositol. It is a conjugate acid of a 1D-myo-inositol 6-phosphate(2-).
1D-myo-inositol 6-phosphate has been reported in Phaseolus lunatus, Canavalia ensiformis, and other organisms with data available.
Chemical Structure Depiction
[(2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] dihydrogen phosphate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
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?/m1/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
INAPMGSXUVUWAF-WWHKVMGRSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
[C@@H]1([C@H](C([C@H]([C@@H](C1O)O)O)OP(=O)(O)O)O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C6H13O9P
Computed by PubChem 2.2 (PubChem release 2021.10.14)
21667-10-7
46495-39-0
111901-84-9
- inositol 4-monophosphate
- inositol 4-phosphate
- myoinositol 4-phosphate
- 1D-myo-inositol 6-phosphate
- Ins6P
- Inositol 4-monophosphate
- Ins(6)P
- D-myo-inositol (6)-phosphate
- D-myo-inositol (6)-monophosphate
- 21667-10-7
- 1D-myo-inositol 6-(dihydrogen phosphate)
- [(2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] dihydrogen phosphate
- ((2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl) dihydrogen phosphate
- (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl dihydrogen phosphate
- I6P
- Inositol 1-monophosphate
- myo-Inositol 6-phosphate
- Myoinositol 4-phosphate
- SCHEMBL2508779
- SCHEMBL3675513
- CHEBI:64838
- INAPMGSXUVUWAF-WWHKVMGRSA-N
- DTXSID301277483
- D-myo-Inositol, 6-(dihydrogen phosphate)
- DL-myo-Inositol, 4-(dihydrogen phosphate)
- Q27133486
- 111901-84-9
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
260.14 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
-4.8
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
9
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
260.02971899 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
260.02971899 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
168 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
16
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
274
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
4
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- ChEBI1D-myo-inositol 6-phosphatehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:64838
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/1D-myo-inositol 6-phosphatehttps://www.wikidata.org/wiki/Q104393045LOTUS Treehttps://lotus.naturalproducts.net/
- ChemIDplusInositol 4-phosphatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=00216671071D-myo-Inositol 4-phosphatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0046495390ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxD-myo-Inositol, 6-(dihydrogen phosphate)https://comptox.epa.gov/dashboard/DTXSID301277483
- Japan Chemical Substance Dictionary (Nikkaji)
- Metabolomics Workbench1D-myo-inositol 6-phosphatehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=63541
- Wikidata1D-myo-inositol 6-phosphatehttps://www.wikidata.org/wiki/Q104393045
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlinositol 4-phosphatehttps://www.ncbi.nlm.nih.gov/mesh/67045537
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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