Livestock Metabolome Database: Showing metabocard for Phosphate (LMDB00331)

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-07-13 19:47:29 UTC

Update Date

2016-09-23 18:45:11 UTC

Lmdb

LMDB00331

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Phosphate

Description

Phosphate is a salt of phosphoric acid. In organic chemistry, a phosphate, or organophosphate, is an ester of phosphoric acid. Organic phosphates are important in biochemistry, biogeochemistry and ecology. Phosphate (Pi) is an essential component of life. In biological systems, phosphorus is found as a free phosphate ion in solution and is called inorganic phosphate, to distinguish it from phosphates bound in various phosphate esters. Inorganic phosphate is generally denoted Pi and at physiological (neutral) pH primarily consists of a mixture of HPO^2-₄ and H₂PO^-₄ ions. phosphates are most commonly found in the form of adenosine phosphates, (AMP, ADP and ATP) and in DNA and RNA and can be released by the hydrolysis of ATP or ADP. Similar reactions exist for the other nucleoside diphosphates and triphosphates. Phosphoanhydride bonds in ADP and ATP, or other nucleoside diphosphates and triphosphates, contain high amounts of energy which give them their vital role in all living organisms. 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. Phosphate levels in the blood play an important role in hormone signaling and in bone homeostasis. 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 (i.e. phosphate and calcium) 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 (softening of the bones). Another complication of chronic renal failure is hyperphosphatemia (low levels of phosphate in the blood). Hyperphosphatemia (excess levels of phosphate in the blood) is a prevalent condition in kidney dialysis patients 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 )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 animals. In particular it was found that phosphate restriction decreased FGF-23, and phosphate loading increased FGF-23.

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
[PO(OH)3]	ChEBI
Acide phosphorique	ChEBI
Acidum phosphoricum	ChEBI
H3PO4	ChEBI
Orthophosphoric acid	ChEBI
Phosphorsaeureloesungen	ChEBI
Phosphorsaeure	ChEBI
Phosphoric acid	Kegg
Orthophosphate	Generator
Concise etchant	MeSH
Condact	MeSH
K-Etchant	MeSH
Uni-etch	MeSH
Phosphate	ChEBI
Diphosphate tetrasodium	HMDB
Marphos	HMDB
NFB	HMDB
ortho- Phosphoric acid	HMDB
Phosphoric acid (acd/name 4.0)	HMDB
Sodium pyrophosphate	HMDB
Sodium pyrophosphate decahydrate	HMDB
Sodium pyrophosphate decahydrate biochemica	HMDB
Sonac	HMDB
Tetra-sodium pyrophosphate	HMDB
Tetrasodium pyrophosphate 10-hydrate	HMDB
Tetrasodium pyrophosphate decahydrate	HMDB
White phosphoric acid	HMDB
Hydrogen phosphoric acid	Generator
Dihydrogen phosphate	HMDB
Hydrogen phosphate	HMDB

Chemical Formula

O₄P

Average Molecular Weight

94.9714

Monoisotopic Molecular Weight

94.95342

IUPAC Name

phosphoric acid

Traditional Name

phosphoric acid

CAS Registry Number

14265-44-2

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

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.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Non-metal oxoanionic compounds

Sub Class

Non-metal phosphates

Direct Parent

Non-metal phosphates

Alternative Parents

Inorganic oxides

Substituents

Non-metal phosphate
Inorganic oxide

Molecular Framework

Not Available

External Descriptors

phosphoric acids (CHEBI:26078 )

Ontology

Status

Detected and Quantified

Origin

Not Available

Biofunction

Not Available

Application

Not Available

Cellular locations

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

Property	Value	Source
logP	-1	ChemAxon
pKa (Strongest Acidic)	1.8	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	77.76 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	14.65 m³·mol⁻¹	ChemAxon
Polarizability	5.81 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
GC-MS	GC-MS Spectrum - GC-MS (3 TMS)	splash10-0002-0794000000-6c866e626b9356994d46	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0002-0394000000-3a469377821d88bd699f	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0002-0794000000-6c866e626b9356994d46	Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-000t-0972000000-2ddd7182426dbace5342	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9000000000-1805c2208b5ff15a75b1	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, N/A (Annotated)	splash10-000t-9000000000-0e85f764ac98e8949759	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, N/A (Annotated)	splash10-001i-9000000000-869a362083996a0cec77	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, N/A (Annotated)	splash10-03di-9000000000-801101cccfd6c25271d4	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 10V, positive	splash10-0002-9000000000-6f386712e664a4b37a0f	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 20V, positive	splash10-0002-9000000000-94c04c712e24776fb333	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 40V, positive	splash10-0002-9000000000-9cc1283f5af78eb26124	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT , negative	splash10-0002-9000000000-c1da993c0996e8d60830	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 35V, negative	splash10-002b-9000000000-ccb36e7b3439fcc25313	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 10V, negative	splash10-004i-9000000000-e618cbd5a94aa5860a29	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 20V, negative	splash10-004i-9000000000-b7f0efd9272b1a27eac4	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 40V, negative	splash10-004i-9000000000-8cadeed88c84e8c2b6c2	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 6V, negative	splash10-014i-9000000000-093cd2a2a662118d8432	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 6V, negative	splash10-004i-9000000000-46d4cee1b5ac630ba9b8	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QqQ 1V, negative	splash10-0006-0090000000-40333890e636692e7970	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QqQ 2V, negative	splash10-0006-0190000000-52fa21c93ab4c97f8df2	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QqQ 3V, negative	splash10-0006-0490000000-32e316211facaa3d3bb2	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QqQ 4V, negative	splash10-0005-0960000000-bd7aaa47a8ffd82012d3	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QqQ 5V, negative	splash10-0002-0920000000-463d7b1bf72bcc10126f	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QqQ 6V, negative	splash10-0002-0910000000-3c9c666ac95b68e43224	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-9000000000-12a5e23d24cd494e99c1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9000000000-91e06ca38117aabdb14c	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000t-9000000000-19b1c041aa5e2adcc3e6	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-9000000000-e56eecd6724dfbf74160	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-0a46ba32971030356ac5	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-3a53d27e23b39429d092	Spectrum

Biological Properties

Cellular Locations

Not Available

Biofluid Locations and Tissue Locations

Milk
Plasma
Serum

Concentrations

Biofluid	Status	Value	Condition	Species	Reference	Details
Milk	Detected and Quantified	1190 mg/kg	Not Available	Bovine	Park, Y. W; Juáre...	details
Plasma	Detected and Quantified	513.839 +/- 87.395 uM	Not Available	Bovine	C. R. E. Cogginsa...	details
Serum	Detected but not Quantified	Not Applicable	Not Available	Bovine	19275474	details

External Links

DrugBank ID

DB09394

HMDB ID

HMDB0002142

FooDB ID

FDB013380

Phenol Explorer ID

Not Available

KNApSAcK ID

C00007408

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Chemspider ID

ChEBI ID

PubChem Compound ID

Kegg Compound ID

YMDB ID

ECMDB ID

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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. Epub 2007 Jun 20. [17581921 ]
Pohlmeier R, Vienken J: Phosphate removal and hemodialysis conditions. Kidney Int Suppl. 2001 Feb;78:S190-4. [11169009 ]
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. [11039261 ]
Cruz DN, Perazella MA: Biochemical aberrations in a dialysis patient following parathyroidectomy. Am J Kidney Dis. 1997 May;29(5):759-62. [9159312 ]
Nemere I: The ins and outs of phosphate homeostasis. Kidney Int. 2007 Jul;72(2):140-2. [17625581 ]

Showing metabocard for Phosphate (LMDB00331)

Structure for LMDB00331 (Phosphate)