Mannose 6-phosphate
(right click,save link as to download,it is a temp file,please download as soon as possible, you can also use CTRL+S to save the whole html page)
Basic Info
| Common Name | Mannose 6-phosphate(F00909) |
| 2D Structure | |
| FRCD ID | F00909 |
| CAS Number | 3672-15-9 |
| PubChem CID | 65127 |
| Formula | C6H13O9P |
| IUPAC Name | [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate |
| InChI Key | NBSCHQHZLSJFNQ-QTVWNMPRSA-N |
| InChI | InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1 |
| Canonical SMILES | C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O |
| Isomeric SMILES | C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)OP(=O)(O)O |
| Synonyms |
Mannose 6-phosphate
D-Mannose 6-phosphate
D-Mannose, 6-(dihydrogen phosphate)
D-mannopyranose 6-phosphate
3672-15-9
alpha-D-mannose-6-P
Man-6-p
AC1Q6RVE
AC1L22NJ
[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl dihydrogen phosphate
|
| Classifies |
Predicted: Animal Toxin
|
| Update Date | Nov 13, 2018 16:49 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Monosaccharides - Hexoses |
| Direct Parent | Hexose phosphates |
| Alternative Parents | |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Hexose phosphate - Monosaccharide phosphate - Monoalkyl phosphate - Organic phosphoric acid derivative - Alkyl phosphate - Oxane - Phosphoric acid ester - Hemiacetal - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Hydrocarbon derivative - Alcohol - Organic oxide - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 260.135 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Complexity | 277 |
| Monoisotopic Mass | 260.03 |
| Exact Mass | 260.03 |
| XLogP | -4.2 |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.8315 |
| Human Intestinal Absorption | HIA- | 0.9918 |
| Caco-2 Permeability | Caco2- | 0.7235 |
| P-glycoprotein Substrate | Non-substrate | 0.6687 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.8225 |
| Non-inhibitor | 0.9931 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9062 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.7946 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8113 |
| CYP450 2D6 Substrate | Non-substrate | 0.8365 |
| CYP450 3A4 Substrate | Non-substrate | 0.5740 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.9182 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.9049 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9189 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.8947 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9695 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.9722 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9149 |
| Non-inhibitor | 0.8981 | |
| AMES Toxicity | Non AMES toxic | 0.7495 |
| Carcinogens | Non-carcinogens | 0.9233 |
| Fish Toxicity | Low FHMT | 0.8711 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.6154 |
| Honey Bee Toxicity | High HBT | 0.7709 |
| Biodegradation | Ready biodegradable | 0.5726 |
| Acute Oral Toxicity | III | 0.5254 |
| Carcinogenicity (Three-class) | Non-required | 0.5954 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -1.3799 | LogS |
| Caco-2 Permeability | -1.0884 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.1534 | LD50, mol/kg |
| Fish Toxicity | 1.9670 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | -0.2617 | pIGC50, ug/L |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Development and evaluation of rapid screening detection methods for geneticallymodified crops using loop-mediated isothermal amplification. | Food Chem | 2018 Jun 30 | 29478558 |
| Characterization of a Mannose-6-Phosphate Isomerase from Bacillusamyloliquefaciens and Its Application in Fructose-6-Phosphate Production. | PLoS One | 2015 Jul 14 | 26171785 |
| Metabolic engineering of Corynebacterium glutamicum to produce GDP-L-fucose from glucose and mannose. | Bioprocess Biosyst Eng | 2013 Jun | 23404100 |
| A novel mannose-based selection system for plant transformation using celerymannose-6-phosphate reductase gene. | Plant Cell Rep | 2010 Feb | 20033814 |
| The Azospirillum brasilense Sp7 noeJ and noeL genes are involved in extracellularpolysaccharide biosynthesis. | Microbiology | 2009 Dec | 19762447 |
| The use of the phosphomannose isomerase gene as alternative selectable marker forAgrobacterium-mediated transformation of flax (Linum usitatissimum). | Plant Cell Rep | 2007 Jun | 17205337 |
| Expression of IGF receptors on alveolar macrophages: IGF-induced changes in InsPiformation, [Ca2+]i, and pHi. | Mol Cell Biochem | 1997 Dec | 9450643 |