| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2020-04-17 19:19:40 UTC |
|---|
| Updated at | 2020-11-18 16:39:31 UTC |
|---|
| CannabisDB ID | CDB005203 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Cannabis Compound Identification |
|---|
| Common Name | Inositol 1,3,4,5-tetraphosphate |
|---|
| Description | Inositol 1,3,4,5-tetraphosphate, also known as ins-1,3,4,5-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. Inositol 1,3,4,5-tetraphosphate is an extremely strong acidic compound (based on its pKa). Within humans, inositol 1,3,4,5-tetraphosphate participates in a number of enzymatic reactions. In particular, inositol 1,3,4,5-tetraphosphate can be converted into inositol 1,3,4,5,6-pentakisphosphate through its interaction with the enzyme inositol polyphosphate multikinase. In addition, inositol 1,3,4,5-tetraphosphate can be biosynthesized from inositol 1,3,4-trisphosphate through its interaction with the enzyme inositol-tetrakisphosphate 1-kinase. Evidence shows that IP4 can activate a protein with ras- and rap-GAP activity and finally inactivate the G protein. Inositol 1,3,4,5-tetrakisphopsphate (IP4) is a second messenger responsible for mediating Ca2+ entry through plasma membrane and mobilize intracellular Ca2+ by acting synergistically with inositol 1,4,5-trisphosphate (IP3). Inositol 1,3,4,5-tetraphosphate is also a substrate for Type I inositol-1,4,5-trisphosphate 5-phosphatase, Phosphatidylinositol 4,5-bisphosphate 5-phosphatase A and Skeletal muscle and kidney enriched inositol phosphatase. IP4 can bind with high affinity to several intracellular proteins: synaptotagmin (I and II), Gap1, Btk, and centaurin-alpha-and may interact with synaptotagmin to inhibit synaptic transmission. Inositol 1,4,5-trisphosphate 3-kinase (IP3K, EC2.7.1.127) phosphorylates IP3 to IP4. In humans, inositol 1,3,4,5-tetraphosphate is involved in inositol phosphate metabolism. IP4 production is not always associated with modification in calcium concentration, and control of calcium mobilization is not the sole function proposed for IP4. IP4 define an essential signaling pathway for T cell precursor responsiveness and development. This indicates that IP4 regulates Ca2+ influx in a GTP-dependent way, which potentially links the IP3 signaling pathway to GTP-regulated signaling mechanisms. Inositol 1,3,4,5-tetraphosphate is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| Inositol 1,3,4,5-tetraphosphoric acid | Generator | | 1,3,4,5-Tetrakis(dihydrogen phosphate) myo-inositol | HMDB | | 1D-Myo-inositol 1,3,4,5-tetrakis(dihydrogen phosphate) | HMDB | | 1D-Myo-inositol 1,3,4,5-tetrakisphosphate | HMDB | | D-Myo-inositol 1,3,4,5-tetrakisphosphate | HMDB | | Inositol 1,3,4,5-tetrakis(phosphate) | HMDB | | Inositol 1,3,4,5-tetrakisphosphate | HMDB | | Inositol-(1,3,4,5)-tetrakisphosphate | HMDB | | Inositol-1,3,4,5-tetrakisphosphate | HMDB | | Inositol-1,3,4,5-tetraphosphate | HMDB | | Ins-1,3,4,5-P4 | HMDB | | Myo-inositol 1,3,4,5-tetrakis(phosphate) | HMDB | | Myo-inositol 1,3,4,5-tetraphosphate | HMDB | | Myo-inositol, 1,3,4,5-tetrakis(dihydrogen phosphate) | HMDB | | Myo-inositol-1,3,4,5-tetrakisphosphate | HMDB | | [(2R,3S,5S,6S)-3,5-Dihydroxy-2,4,6-triphosphonooxycyclohexyl] dihydrogen phosphate | HMDB | | Inositol-1,3,4,5-tetrakisphosphate, DL-isomer | HMDB | | Ins(1,3,4,5)p(4) | HMDB | | Inositol-1,3,4,5-tetrakisphosphate, D-isomer | HMDB | | Ins(1,3,4,5)P4 | HMDB |
|
|---|
| Chemical Formula | C6H16O18P4 |
|---|
| Average Molecular Weight | 500.08 |
|---|
| Monoisotopic Molecular Weight | 499.9287 |
|---|
| IUPAC Name | {[(1R,2S,4S,5S)-2,4-dihydroxy-3,5,6-tris(phosphonooxy)cyclohexyl]oxy}phosphonic acid |
|---|
| Traditional Name | [(1R,2S,4S,5S)-2,4-dihydroxy-3,5,6-tris(phosphonooxy)cyclohexyl]oxyphosphonic acid |
|---|
| CAS Registry Number | 102850-29-3 |
|---|
| SMILES | O[C@H]1C(OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)C(OP(O)(O)=O)[C@H]1OP(O)(O)=O |
|---|
| InChI Identifier | InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)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?/m0/s1 |
|---|
| InChI Key | CIPFCGZLFXVXBG-FTSGZOCFSA-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 | Not Available |
|---|
| Ontology |
|---|
|
Not Available | | Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
|
|---|
| Predicted Properties | [] |
|---|
