MiMeDB: Showing metabocard for 1D-myo-inositol 1,4-bisphosphate (MMDBc0033160)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:37:09 UTC

Update Date

2022-08-31 22:26:51 UTC

Metabolite ID

MMDBc0033160

Metabolite Identification

Common Name

1D-myo-inositol 1,4-bisphosphate

Description

D-myo-Inositol 1,4-bisphosphate belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. D-myo-Inositol 1,4-bisphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). D-myo-Inositol 1,4-bisphosphate is a substrate for several proteins including inositol polyphosphate 1-phosphatase, phosphatidylinositol 4,5-bisphosphate 5-phosphatase A, skeletal muscle and kidney enriched inositol phosphatase, and type I inositol-1,4,5-trisphosphate 5-phosphatase.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₆H₁₄O₁₂P₂

Average Mass

340.1157

Monoisotopic Mass

339.996048936

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

47055-78-7

SMILES

Not Available

InChI Identifier

InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5+,6+/m1/s1

InChI Key

PELZSPZCXGTUMR-RTPHHQFDSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Cytoplasm
Nucleus

Biospecimen Locations

Feces
Placenta

Tissue Locations

Placenta

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192029	Type I inositol 1,4,5-trisphosphate 5-phosphatase	Unknown	Q14642	Homo_sapiens
MMDBp0192030	Inositol polyphosphate 1-phosphatase	Unknown	P49441	Homo_sapiens
MMDBp0192031	Phosphatidylinositol 4,5-bisphosphate 5-phosphatase A	Enzyme	Q15735	Homo_sapiens
MMDBp0192032	Inositol polyphosphate 5-phosphatase K	Enzyme	Q9BT40	Homo_sapiens
MMDBp0193363	Glycophorin-B	Enzyme	P06028	Homo_sapiens
MMDBp0193888	Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2	Enzyme	O15357	Homo_sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces	Unknown

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Placenta	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Eberhard M, Erne P: Inositol 1,4,5-trisphosphate-induced calcium release in permeabilized platelets is coupled to hydrolysis of inositol 1,4,5-trisphosphate to inositol 1,4-bisphosphate. Biochem Biophys Res Commun. 1993 Aug 31;195(1):19-24. doi: 10.1006/bbrc.1993.2003. [PubMed:8363599 ]
Eberhard M, Erne P: Regulation of inositol 1,4,5-trisphosphate-induced calcium release by inositol 1,4,5-trisphosphate and calcium in human platelets. J Recept Signal Transduct Res. 1995 Jan-Mar;15(1-4):297-309. doi: 10.3109/10799899509045222. [PubMed:8903946 ]
Spiegelberg BD, Xiong JP, Smith JJ, Gu RF, York JD: Cloning and characterization of a mammalian lithium-sensitive bisphosphate 3'-nucleotidase inhibited by inositol 1,4-bisphosphate. J Biol Chem. 1999 May 7;274(19):13619-28. doi: 10.1074/jbc.274.19.13619. [PubMed:10224133 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for 1D-myo-inositol 1,4-bisphosphate (MMDBc0033160)

MOL for #<Metabolite:0x00007f1240d36518>

3D MOL for #<Metabolite:0x00007f1240d36518>

3D SDF for #<Metabolite:0x00007f1240d36518>

3D-SDF for #<Metabolite:0x00007f1240d36518>

PDB for #<Metabolite:0x00007f1240d36518>

3D PDB for #<Metabolite:0x00007f1240d36518>

SMILES for #<Metabolite:0x00007f1240d36518>

INCHI for #<Metabolite:0x00007f1240d36518>

Structure for #<Metabolite:0x00007f1240d36518>

3D Structure for #<Metabolite:0x00007f1240d36518>