Np mrd loader

Showing NP-Card for Phosphate (NP0334086)

Jump To Section:
IdentificationSpectraBioTaxonomyChemoTaxonomyPhysical propertiesLinksReferencesXML
Record Information
Version2.0
Created at2024-09-09 22:07:13 UTC
Updated at2024-09-09 22:07:16 UTC
NP-MRD IDNP0334086
Secondary Accession NumbersNone
Natural Product Identification
Common NamePhosphate
DescriptionPhosphate (Pi) is an essential component of life. In classical endocrine regulation, low serum phosphate induces the renal production of the seco-steroid hormone 1,25-dihydroxyvitamin D3 (1,25(OH)2D3).This active metabolite of vitamin D acts to restore circulating mineral levels by increasing absorption in the intestine, reabsorption in the kidney, and mobilization of calcium and phosphate from bone. Thus, chronic renal failure is associated with hyperparathyroidism, which in turn contributes to osteomalacia. Another complication of chronic renal failure is hyperphosphatemia. Fibroblast growth factor 23 (FGF-23) has recently been recognized as a key mediator of phosphate homeostasis, its most notable effect being promotion of phosphate excretion. FGF-23 was discovered to be involved in diseases such as autosomal dominant hypophosphatemic rickets, X-linked hypophosphatemia, and tumor-induced osteomalacia in which phosphate wasting was coupled to inappropriately low levels of 1,25(OH)2D3. FGF-23 is regulated by dietary phosphate in humans: Phosphate restriction decreased FGF-23, and phosphate loading increased FGF-23. Phosphate must be actively transported into cells against its electrochemical gradient. In vertebrates, two unrelated families of Na+-dependent Pi transporters carry out this task. Remarkably, the two families transport different Pi species: Whereas type II Na+/Pi cotransporters (SCL34) prefer divalent HPO4(2), type III Na+/Pi cotransporters (SLC20) transport monovalent H2PO4. The SCL34 family comprises both electrogenic and electroneutral members that are expressed in various epithelia and other polarized cells. Through regulated activity in apical membranes of the gut and kidney, they maintain body Pi homeostasis, and in salivary and mammary glands, liver, and testes they play a role in modulating the Pi content of luminal fluids. Hyperphosphatemia is a prevalent condition in the dialysis population and is associated with increased risk of mortality. Hypophosphatemia (hungry bone syndrome) has been associated to postoperative electrolyte aberrations and after parathyroidectomy. (PMID: 17581921 , 11169009 , 11039261 , 9159312 , 17625581 ) [HMDB]. Phosphate is found in many foods, some of which are yellow zucchini, avocado, longan, and garden rhubarb.
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0334086 (Phosphate)


  Mrv1652305221920542D          

  5  4  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  2  0  0  0  0
M  CHG  3   1  -1   2  -1   3  -1
M  END
Download

3D MOL for NP0334086 (Phosphate)

Download
3D SDF for NP0334086 (Phosphate)

  Mrv1652305221920542D          

  5  4  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  2  0  0  0  0
M  CHG  3   1  -1   2  -1   3  -1
M  END
> <DATABASE_ID>
NP0334086

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[O-]P([O-])([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3

> <INCHI_KEY>
NBIIXXVUZAFLBC-UHFFFAOYSA-K

> <FORMULA>
O4P

> <MOLECULAR_WEIGHT>
94.9714

> <EXACT_MASS>
94.95342

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
4.932162910070488

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-3

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
phosphate

> <JCHEM_LOGP>
-1.0201038226666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.951626889535468

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7961261340181292

> <JCHEM_POLAR_SURFACE_AREA>
86.25

> <JCHEM_REFRACTIVITY>
11.2868

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0334086 (Phosphate)
Download
PDB for NP0334086 (Phosphate)
HEADER    PROTEIN                                 22-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-MAY-19         0                                  
HETATM    1  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O-1
HETATM    2  O   UNK     0      -0.000  -1.540   0.000  0.00  0.00           O-1
HETATM    3  O   UNK     0      -1.540   0.000   0.000  0.00  0.00           O-1
HETATM    4  O   UNK     0       1.540   0.000   0.000  0.00  0.00           O+0
HETATM    5  P   UNK     0       0.000   0.000   0.000  0.00  0.00           P+0
CONECT    1    5                                                            
CONECT    2    5                                                            
CONECT    3    5                                                            
CONECT    4    5                                                            
CONECT    5    1    2    3    4                                             
MASTER        0    0    0    0    0    0    0    0    5    0    8    0
END

Download
3D PDB for NP0334086 (Phosphate)
Download
SMILES for NP0334086 (Phosphate)
[O-]P([O-])([O-])=O
Download
INCHI for NP0334086 (Phosphate)
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
Download
View in JSmol
Synonyms
ValueSource
[PO4](3-)ChEBI
OrthophosphateChEBI
PhosphateChEBI
PO4(3-)ChEBI
Orthophosphoric acidGenerator
Phosphoric acidGenerator
Phosphoric acid ionGenerator
Phosphates, inorganicMeSH
PhosphatesMeSH
Inorganic phosphatesMeSH
PHOSPHATE ionChEBI
NFB OrthophosphateHMDB
O-Phosphoric acidHMDB
ortho-PhosphateHMDB
Orthophosphate (PO43-)HMDB
Orthophosphate(3-)HMDB
Phosphate (PO43-)HMDB
Phosphate anion(3-)HMDB
Phosphate ion (PO43-)HMDB
Phosphate ion(3-)HMDB
Phosphate trianionHMDB
Phosphate(3-)HMDB
Phosphoric acid ion(3-)HMDB
PiHMDB
Chemical FormulaO4P
Average Mass94.9714 Da
Monoisotopic Mass94.95342 Da
IUPAC Namephosphate
Traditional Namephosphate
CAS Registry NumberNot Available
SMILES
[O-]P([O-])([O-])=O
InChI Identifier
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChI KeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as non-metal phosphates. These are inorganic non-metallic compounds containing a phosphate as its largest oxoanion.
KingdomInorganic compounds  
Super ClassHomogeneous non-metal compounds  
ClassNon-metal oxoanionic compounds  
Sub ClassNon-metal phosphates  
Direct ParentNon-metal phosphates  
Alternative Parents
Substituents
  • Non-metal phosphate
    • 

  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-1ChemAxon
pKa (Strongest Acidic)1.8ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area86.25 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity11.29 m³·mol⁻¹ChemAxon
Polarizability4.93 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB022617  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPhosphate  
METLIN IDNot Available
PubChem Compound1061  
PDB IDNot Available
ChEBI ID18367  
Good Scents IDNot Available
References
General References
  1. Virkki LV, Biber J, Murer H, Forster IC: Phosphate transporters: a tale of two solute carrier families. Am J Physiol Renal Physiol. 2007 Sep;293(3):F643-54. doi:  10.1152/ajprenal.00228.2007. Epub 2007 Jun 20. [PubMed:17581921  ] 
  2. Pohlmeier R, Vienken J: Phosphate removal and hemodialysis conditions. Kidney Int Suppl. 2001 Feb;78:S190-4. doi: 10.1046/j.1523-1755.2001.59780190.x. [PubMed:11169009  ] 
  3. Gallar P, Ortega O, Gutierrez M, Munoz M, Hilara L, Oliet A, Rodriguez I, Gimenez E, Vigil A: [Influencing factors in the control of phosphorus in peritoneal dialysis. Therapeutic options]. Nefrologia. 2000 Jul-Aug;20(4):355-61. [PubMed:11039261  ] 
  4. Cruz DN, Perazella MA: Biochemical aberrations in a dialysis patient following parathyroidectomy. Am J Kidney Dis. 1997 May;29(5):759-62. doi: 10.1016/s0272-6386(97)90131-1. [PubMed:9159312  ] 
  5. Nemere I: The ins and outs of phosphate homeostasis. Kidney Int. 2007 Jul;72(2):140-2. doi: 10.1038/sj.ki.5002005. [PubMed:17625581  ]