Inositol 1-phosphate
PubChem CID
107737
Structure
Molecular Formula
Synonyms
- inositol 1-phosphate
- Myoinositol 1-phosphate
- 1D-myo-inositol 1-phosphate
- 15421-51-9
- INOSITOL MONOPHOSPHATE
Molecular Weight
260.14 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-06-08
- Modify:2025-01-18
Description
1D-myo-inositol 1-phosphate is an inositol having myo- configuration substituted at position 1 by a phosphate group. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is functionally related to a myo-inositol. It is a conjugate acid of a 1D-myo-inositol 1-phosphate(2-).
Myo-inositol 1-phosphate is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Inositol 1-phosphate has been reported in Phaseolus lunatus, Canavalia ensiformis, and other organisms with data available.
See also: Inositol Phosphates (annotation moved to).
Chemical Structure Depiction
[(2R,3S,5R,6R)-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-GCVPSNMTSA-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)
573-35-3
2831-74-5
15421-51-9
- inositol 1-monophosphate
- inositol 1-phosphate
- myoinositol 1-phosphate
- inositol 1-phosphate
- Myoinositol 1-phosphate
- 1D-myo-inositol 1-phosphate
- 15421-51-9
- INOSITOL MONOPHOSPHATE
- inositol phosphate
- Ins1P
- Ins(1)P
- myo-inositol 1-phosphate
- D-myo-Inositol 1-phosphate
- 1D-myo-Inositol 1-monophosphate
- Inositol 1-monophosphate
- [(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] dihydrogen phosphate
- DL-myo-Inositol 1-phosphate
- CHEMBL3959608
- CHEBI:18297
- D-Myo-Inositol-1-Phosphate
- myo-Inositol, 1-(dihydrogen phosphate)
- Myoinositol 3-phosphate
- myo-Inositol-1-phosphate
- 5G9I890092
- 2831-74-5
- I1P
- (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl dihydrogen phosphate
- 573-35-3
- D-myo-Inositol,1-(dihydrogen phosphate)
- D-myo-Inositol, 1-(dihydrogen phosphate)
- D-myo-Inositol, 3-(dihydrogen phosphate)
- Epitope ID:144997
- myo-inositol 1-monophosphate
- SCHEMBL235876
- GTPL5203
- SCHEMBL1027166
- DTXSID001315105
- UNII-5G9I890092
- INOSITOL MONOPHOSPHATE [MI]
- BDBM50191323
- D-myo-Inositol 1-dihydrogenphosphate
- 1-(dihydrogen phosphate) myo-Inositol
- (+/-)-MYO-INOSITOL-1-PHOSPHATE
- 1-(dihydrogen phosphate) DL-myo-Inositol
- NS00122270
- C01177
- Q27078074
- 1,2,3,4,5,6-cyclohexanehexol, 1-(dihydrogen phosphate), (1alpha,2alpha,3alpha,4beta,5alpha,6beta)-
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)
MoNA ID
MS Category
Experimental
MS Type
GC-MS
Instrument Type
GC-MS
Top 5 Peaks
318.0 1
299.0 0.93
315.0 0.81
387.0 0.37
133.0 0.36
MoNA ID
MS Category
Experimental
MS Type
GC-MS
Instrument Type
GC-MS
Top 5 Peaks
318.0 1
315.0 0.73
299.0 0.69
387.0 0.50
217.0 0.42
NIST Number
1218735
Instrument Type
IT/ion trap
Collision Energy
0
Spectrum Type
MS2
Precursor Type
[M+H]+
Precursor m/z
261.037
Total Peaks
37
m/z Top Peak
163
m/z 2nd Highest
109
m/z 3rd Highest
99
Thumbnail
NIST Number
1219151
Instrument Type
IT/ion trap
Collision Energy
0
Spectrum Type
MS2
Precursor Type
[M+H]+
Precursor m/z
261.037
Total Peaks
27
m/z Top Peak
163
m/z 2nd Highest
109
m/z 3rd Highest
99
Thumbnail
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 Stereo Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Inositol Phosphates (annotation moved to)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=INAPMGSXUVUWAF-GCVPSNMTSA-N
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=INAPMGSXUVUWAF-UOTPTPDRSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- ChEBI1D-myo-inositol 1-phosphatehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:18297
- E. coli Metabolome Database (ECMDB)
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/Inositol 1-phosphatehttps://www.wikidata.org/wiki/Q105116048LOTUS Treehttps://lotus.naturalproducts.net/
- Yeast Metabolome Database (YMDB)1D-myo-inositol 1-phosphatehttps://www.ymdb.ca/compounds/YMDB00714Myo-inositol 1-phosphatehttps://www.ymdb.ca/compounds/YMDB00792
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- ChemIDplusInositol monophosphatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000573353Inositol 3-phosphatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0002831745Inositol 1-phosphatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0015421519ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxInositol 1-phosphatehttps://comptox.epa.gov/dashboard/DTXSID001315105CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingINOSITOL MONOPHOSPHATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/5G9I890092
- Comparative Toxicogenomics Database (CTD)LICENSEIt is to be used only for research and educational purposes. Any reproduction or use for commercial purpose is prohibited without the prior express written permission of NC State University.http://ctdbase.org/about/legal.jspinositol 1-phosphatehttps://ctdbase.org/detail.go?type=chem&acc=C002647Inositol Phosphateshttps://ctdbase.org/detail.go?type=chem&acc=D007295
- 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
- MassBank of North America (MoNA)LICENSEThe content of the MoNA database is licensed under CC BY 4.0.https://mona.fiehnlab.ucdavis.edu/documentation/license
- Metabolomics Workbench1D-myo-inositol 1-phosphatehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51222
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawD-myo-Inositol-1-phosphatehttp://www.nist.gov/srd/nist1a.cfm
- Springer Nature
- WikidataInositol 1-phosphatehttps://www.wikidata.org/wiki/Q105116048
- Wiley
- 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 1-phosphatehttps://www.ncbi.nlm.nih.gov/mesh/67002647
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388317065https://pubchem.ncbi.nlm.nih.gov/substance/388317065SID 389824292https://pubchem.ncbi.nlm.nih.gov/substance/389824292
CONTENTS