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

2024-10-13 11:49:28 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

Value	Source
D-MYO-inositol-1,4-bisphosphATE	ChEBI
Inositol 1,4-bisphosphate	ChEBI
Myo-inositol 1,4-bisphosphate	ChEBI
D-MYO-inositol-1,4-bisphosphoric acid	Generator
Inositol 1,4-bisphosphoric acid	Generator
Myo-inositol 1,4-bisphosphoric acid	Generator
D-Myo-inositol 1,4-bisphosphoric acid	Generator
1D-Myo-inositol 1,4-bisphosphoric acid	HMDB
D-myo-Inositol 1,4-bisphosphate	ChEBI

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

Description

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.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Alcohols and polyols

Direct Parent

Inositol phosphates

Alternative Parents

Substituents

Inositol phosphate
Monoalkyl phosphate
Cyclohexanol
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Secondary alcohol
Polyol
Organic oxide
Hydrocarbon derivative
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

myo-inositol bisphosphate (CHEBI:17816 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

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

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0001669	Inositol 1,4,5-trisphosphate	1D-myo-inositol 1,4-bisphosphate	inositol polyphosphate-5-phosphatase, 40kDa	VMH	10593988 10764818 15261714 2906139 7721860 8006039 8013665 8530088 8769125 9428629 9824312
MMDBr0001670	1D-myo-inositol 1,4-bisphosphate	myo-Inositol 6-phosphate	Not Available	VMH	2906139
MMDBr0001671	1D-myo-inositol 1,4-bisphosphate	D-Myo-inositol 4-phosphate	inositol polyphosphate-1-phosphatase	VMH	2906139 8390685
MMDBr0001950	1-phosphatidyl-1D-myo-inositol 4-phosphate	Diglyceride	phospholipase C, beta 1 (phosphoinositide-specific)	VMH	10702670 10702683 10760467 11022047 11022048 11118617 12117804 12213492 12416999 13333955 15140260 1644792 2167438 7607669 7612006 7633416 7789993 7835906 7849701 7890667 8530101 9345909
MMDBr0001951	1-phosphatidyl-1D-myo-inositol 4-phosphate	Diglyceride	phospholipase C, beta 1 (phosphoinositide-specific)	VMH	10760467 11118617 12213492

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; Human saliva	Unknown

Exposure Sources

Source Type	Activity	Data Source	Reference
Drugs	Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox

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

HMDB0000968

DrugBank ID

DB03158

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

INOSITOL-1-4-BISPHOSPHATE

BiGG ID

37109

Wikipedia Link

Not Available

METLIN ID

5911

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

17816

Food Biomarker Ontology

Not Available

References

Synthesis Reference

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:0x00007fdb5983a608>

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3D-SDF for #<Metabolite:0x00007fdb5983a608>

PDB for #<Metabolite:0x00007fdb5983a608>

3D PDB for #<Metabolite:0x00007fdb5983a608>

SMILES for #<Metabolite:0x00007fdb5983a608>

INCHI for #<Metabolite:0x00007fdb5983a608>

Structure for #<Metabolite:0x00007fdb5983a608>

3D Structure for #<Metabolite:0x00007fdb5983a608>