1D-myo-inositol 3-phosphate
PubChem CID
440194
Structure
Molecular Formula
Synonyms
- Inositol 3-phosphate
- 1D-myo-inositol 3-phosphate
- D-myo-inositol 3-phosphate
- L-myo-inositol 1-phosphate
- 1L-myo-inositol 1-phosphate
Molecular Weight
260.14 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-06-24
- Modify:2025-01-18
Description
1D-myo-inositol 3-phosphate is a myo-inositol monophosphate. It has a role as a mouse metabolite. It is functionally related to a myo-inositol. It is a conjugate acid of a 1D-myo-inositol 3-phosphate(2-).
1D-myo-inositol 3-phosphate is a metabolite found in or produced by Saccharomyces cerevisiae.
Chemical Structure Depiction
[(2S,3S,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?/m0/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
INAPMGSXUVUWAF-LXOASSSBSA-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)
2831-74-5
- D-myo-inositol-3-phosphate
- inositol 3-phosphate
- inositol 3-phosphate, (-)-isomer
- myoinositol 3-phosphate
- Inositol 3-phosphate
- 1D-myo-inositol 3-phosphate
- D-myo-inositol 3-phosphate
- L-myo-inositol 1-phosphate
- 1L-myo-inositol 1-phosphate
- D-myo-Inositol 3-monophosphate
- 1D-myo-inositol 3-monophosphate
- Inositol 3-monophosphate
- myo-Inositol 3-phosphate
- 2831-74-5
- myo-Inositol 3-monophosphate
- Myoinositol 3-phosphate
- [(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] dihydrogen phosphate
- myo-Inositol-1-phosphate
- LIP
- d-myo-inositol-3-phosphate
- SCHEMBL7538
- Inositol-1-phosphate, myo-
- GTPL5204
- SCHEMBL9094343
- CHEBI:18169
- DTXSID801311864
- 1L-myo-inositol 1-(dihydrogen phosphate)
- HY-163969
- NS00073200
- C04006
- Q27078075
- ( inverted exclamation markA)-myo-Inositol-1-phosphate
- 2BBBF2DA-0914-425A-B8C3-DA6A72567B32
- {[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid
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)
Pharmaceuticals -> Listed in ZINC15
S55 | ZINC15PHARMA | Pharmaceuticals from ZINC15 | DOI:10.5281/zenodo.3247749
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)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=INAPMGSXUVUWAF-PTQMNWPWSA-N
Zebrafish Pathway Metabolite MetFrag Local CSV (Beta) | DOI:10.5281/zenodo.3457553
Zebrafish Pathway Metabolite MetFrag Local CSV (Beta) | DOI:10.5281/zenodo.3457553
- ChEBI1D-myo-inositol 3-phosphatehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:18169
- Yeast Metabolome Database (YMDB)1D-myo-inositol 3-phosphatehttps://www.ymdb.ca/compounds/YMDB00715
- ECI Group, LCSB, University of Luxembourg1D-myo-Inositol 3-phosphate
- EPA DSSToxD-myo-Inositol 3-phosphatehttps://comptox.epa.gov/dashboard/DTXSID801311864CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.html
- Metabolomics Workbench1D-myo-Inositol 3-phosphatehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=39049
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/Myoinositol 1-PhosphateNORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- Wikidatainositol 3-phosphatehttps://www.wikidata.org/wiki/Q270780751D-myo-inositol 3-phosphate(2-)https://www.wikidata.org/wiki/Q27125760
- 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 3-phosphatehttps://www.ncbi.nlm.nih.gov/mesh/67052128
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 389824301https://pubchem.ncbi.nlm.nih.gov/substance/389824301
- NCBI
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