MiMeDB: Showing metabocard for 1D-Myo-inositol 1,3,4,6-tetrakisphosphate (MMDBc0047779)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 15:42:16 UTC

Update Date

2024-10-11 04:43:51 UTC

Metabolite ID

MMDBc0047779

Metabolite Identification

Common Name

1D-Myo-inositol 1,3,4,6-tetrakisphosphate

Description

D-myo-Inositol 1,3,4,6-tetrakisphosphate, also known as ins-1,3,4,6-P4, 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. A myo-inositol tetrakisphosphate having the phosphate groups placed at the 1-, 3-, 4- and 6-positions. D-myo-Inositol 1,3,4,6-tetrakisphosphate is an extremely strong acidic compound (based on its pKa). D-myo-Inositol 1,3,4,6-tetrakisphosphate exists in all eukaryotes, ranging from yeast to humans.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1D-Myo-inositol 1,3,4,6-tetrakisphosphate	ChEBI
Inositol 1,3,4,6-tetrakisphosphate	ChEBI
Inositol-1,3,4,6-tetrakisphosphate	ChEBI
Inositol-1,3,4,6-tetraphosphate	ChEBI
Ins-1,3,4,6-P4	ChEBI
Myo-inositol-1,3,4,6-tetrakisphosphate	ChEBI
1D-Myo-inositol 1,3,4,6-tetrakisphosphoric acid	Generator
Inositol 1,3,4,6-tetrakisphosphoric acid	Generator
Inositol-1,3,4,6-tetrakisphosphoric acid	Generator
Inositol-1,3,4,6-tetraphosphoric acid	Generator
Myo-inositol-1,3,4,6-tetrakisphosphoric acid	Generator
D-Myo-inositol 1,3,4,6-tetrakisphosphoric acid	Generator
D-Myo-inositol 1,3,4,5-tetrakis-*phosphate potass	HMDB
D-Myo-inositol-1,3,4,5-tetrakisphosphate octapotassium salt	HMDB
Inositol 1,3,4,6-tetrakis(phosphate)	HMDB
Inositol 1,3,4,6-tetraphosphate	HMDB
Ins(1,3,4,6)P4	HMDB
D-Myo-inositol 1,3,4,6-tetraphosphate	HMDB
D-myo-Inositol 1,3,4,6-tetrakisphosphate	ChEBI
D-myo-Inositol (1,3,4,6)-tetrakisphosphate	HMDB

Molecular Formula

C₆H₁₆O₁₈P₄

Average Mass

500.0755

Monoisotopic Mass

499.928709756

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4+,5-,6+

InChI Key

ZAWIXNGTTZTBKV-JMVOWJSSSA-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
Organic oxide
Hydrocarbon derivative
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

myo-inositol tetrakisphosphate (CHEBI:16155 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Nucleus

Biospecimen Locations

Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0194175	Inositol-tetrakisphosphate 1-kinase	Unknown	Q13572	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0001659	1D-Myo-inositol 1,3,4,6-tetrakisphosphate	Inositol 1,3,4,5,6-pentakisphosphate	inositol polyphosphate multikinase	VMH	12027805 12223481 2906139
MMDBr0001662	Inositol 1,3,4-trisphosphate	1D-Myo-inositol 1,3,4,6-tetrakisphosphate	Not Available	VMH	2906139
MMDBr0010382	1D-Myo-inositol 1,3,4,6-tetrakisphosphate	Inositol 1,3,4,5,6-pentakisphosphate	inositol polyphosphate multikinase	VMH; KEGG	30371894

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

External Links

HMDB ID

HMDB0001187

DrugBank ID

DB04300

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022475

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Not Available

METLIN ID

6066

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

16155

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Irvine RF, Moor RM, Pollock WK, Smith PM, Wreggett KA: Inositol phosphates: proliferation, metabolism and function. Philos Trans R Soc Lond B Biol Sci. 1988 Jul 26;320(1199):281-98. doi: 10.1098/rstb.1988.0077. [PubMed:2906139 ]
Noronha A, Modamio J, Jarosz Y, Guerard E, Sompairac N, Preciat G, Danielsdottir AD, Krecke M, Merten D, Haraldsdottir HS, Heinken A, Heirendt L, Magnusdottir S, Ravcheev DA, Sahoo S, Gawron P, Friscioni L, Garcia B, Prendergast M, Puente A, Rodrigues M, Roy A, Rouquaya M, Wiltgen L, Zagare A, John E, Krueger M, Kuperstein I, Zinovyev A, Schneider R, Fleming RMT, Thiele I: The Virtual Metabolic Human database: integrating human and gut microbiome metabolism with nutrition and disease. Nucleic Acids Res. 2019 Jan 8;47(D1):D614-D624. doi: 10.1093/nar/gky992. [PubMed:30371894 ]
Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]

Showing metabocard for 1D-Myo-inositol 1,3,4,6-tetrakisphosphate (MMDBc0047779)

MOL for #<Metabolite:0x00007fdb3dbb5290>

3D MOL for #<Metabolite:0x00007fdb3dbb5290>

3D SDF for #<Metabolite:0x00007fdb3dbb5290>

3D-SDF for #<Metabolite:0x00007fdb3dbb5290>

PDB for #<Metabolite:0x00007fdb3dbb5290>

3D PDB for #<Metabolite:0x00007fdb3dbb5290>

SMILES for #<Metabolite:0x00007fdb3dbb5290>

INCHI for #<Metabolite:0x00007fdb3dbb5290>

Structure for #<Metabolite:0x00007fdb3dbb5290>

3D Structure for #<Metabolite:0x00007fdb3dbb5290>