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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-08-16 13:07:24 UTC
Update Date2022-03-07 02:49:09 UTC
HMDB IDHMDB0001315
Secondary Accession Numbers
  • HMDB01315
Metabolite Identification
Common NamePhosphorus
DescriptionPhosphorus, in its common form, is a waxy white (or yellowish) solid that has a characteristic disagreeable smell similar to that of garlic. Pure forms of the element are colourless and transparent. This nonmetal is not soluble in water, but is soluble in carbon disulfide. The white allotrope ignites spontaneously in air; however, both white and red phosphorus burn in air to produce phosphorus pentoxide. Phosphorus is a key element in all known forms of life. Physiologically, it exists as an ion in the body. Inorganic phosphorus in the form of the phosphate PO43- plays a major role in biological molecules such as DNA and RNA where it forms part of the structural framework of these molecules. Living cells also utilize phosphate to transport cellular energy via adenosine triphosphate (ATP). Nearly every cellular process that uses energy gets it in the form of ATP. ATP is also important for phosphorylation, a key regulatory event in cells. Phospholipids are the main structural components of all cellular membranes. Calcium phosphate salts are used by animals to stiffen their bones. An average person contains a little less than 1 kg of phosphorus, about three quarters of which is present in bones and teeth in the form of apatite. A well-fed adult in the industrialized world consumes and excretes about 1-3 g of phosphorus per day in the form of phosphate. Phosphorus is an essential mineral macronutrient, which is studied extensively in soil conservation in order to understand plant uptake from soil systems. Due to its reactivity to air and many other oxygen containing substances, phosphorus is not found free in nature, but it is widely distributed in many different minerals. Phosphorus is found to be associated with glycerol intolerance syndrome, which is an inborn error of metabolism.
Structure
Data?1582752191
Synonyms
ValueSource
15PChEBI
FosforoChEBI
PChEBI
PhosphorChEBI
PhosphoreChEBI
Hittorf'S phosphorusHMDB
PhosphorousHMDB
Phosphorus-30HMDB
Red phosphorusHMDB
Violet phosphorusHMDB
White phosphorusHMDB
Phosphorus 31HMDB
Phosphorus, redHMDB
Phosphorus-31HMDB
Phosphorus, whiteHMDB
Phosphorus, blackHMDB
Yellow phosphorusHMDB
Phosphorus, yellowHMDB
Black phosphorusHMDB
PhosphorusChEBI
Chemical FormulaP
Average Molecular Weight30.9738
Monoisotopic Molecular Weight30.973761512
IUPAC Namephosphanylidyne
Traditional Namephosphanylidyne
CAS Registry Number7723-14-0
SMILES
[P]
InChI Identifier
InChI=1S/P
InChI KeyOAICVXFJPJFONN-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous other non-metal compounds
Sub ClassNot Available
Direct ParentHomogeneous other non-metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous other non metal
Molecular FrameworkNot Available
External Descriptors
Ontology
Physiological effect
Disposition
Biological locationRoute of exposureSource
Process
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point44.1 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP0.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity5.2 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+110.04530932474
DeepCCS[M-H]-108.29230932474
DeepCCS[M-2H]-143.45830932474
DeepCCS[M+Na]+116.77830932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Phosphorus[P]769.0Standard polar33892256
Phosphorus[P]259.8Standard non polar33892256
Phosphorus[P]185.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Phosphorus GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9000000000-88317f9b56fea79262a02016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phosphorus GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phosphorus GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phosphorus 10V, Positive-QTOFsplash10-000i-9000000000-0ff3e41d21c9c6b5734b2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phosphorus 20V, Positive-QTOFsplash10-000i-9000000000-0ff3e41d21c9c6b5734b2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phosphorus 40V, Positive-QTOFsplash10-000i-9000000000-0ff3e41d21c9c6b5734b2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phosphorus 10V, Negative-QTOFsplash10-001i-9000000000-e5f6a63c9b1574340f612016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phosphorus 20V, Negative-QTOFsplash10-001i-9000000000-e5f6a63c9b1574340f612016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phosphorus 40V, Negative-QTOFsplash10-001i-9000000000-e5f6a63c9b1574340f612016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phosphorus 10V, Positive-QTOFsplash10-001i-9000000000-b25ebf44fa1deb41a7712021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phosphorus 20V, Positive-QTOFsplash10-001i-9000000000-b25ebf44fa1deb41a7712021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phosphorus 40V, Positive-QTOFsplash10-001i-9000000000-b25ebf44fa1deb41a7712021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Saliva
  • Urine
Tissue Locations
  • Brain
  • Kidney
  • Liver
  • Parathyroid Gland
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified11900.0 (10100.0-14300.0) uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified2030.0(1390.0-2600.0) uMNewborn (0-30 days old)BothNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified1640.0 (1280.0-2000.0) uMChildren (1-13 years old)BothNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified1540.0 (1050.0-2050.0) uMAdolescent (13-18 years old)BothNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified1035.0 (710.0-1360.0) uMAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified1065.0 (770.0-1360.0) uMAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified800.0-1500.0 uMAdult (>18 years old)FemaleNormal details
BloodDetected and Quantified800.0-1500.0 uMAdult (>18 years old)MaleNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified520.0 (371.0-668.0) uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
details
SalivaDetected and Quantified5743.571 +/- 2085.636 uMAdult (>18 years old)Not Specified
Normal
details
SalivaDetected and Quantified4184.187 +/- 1468.985 uMAdult (>18 years old)Not Specified
Normal
details
SalivaDetected and Quantified5001.00698 +/- 1417.329 uMAdolescent (13-18 years old)Not Specified
Normal
details
SalivaDetected and Quantified3373.823 +/- 894.305 uMAdolescent (13-18 years old)Not Specified
Normal
details
SalivaDetected and Quantified3470 +/- 940 uMAdult (>18 years old)Not Specified
Normal
details
SalivaDetected and Quantified2020 +/- 5040 uMAdult (>18 years old)Not Specified
Normal
details
SalivaDetected and Quantified4702.78 +/- 2433.64 uMAdult (>18 years old)BothNormal
    • Zerihun T. Dame, ...
details
UrineDetected and Quantified1799 (221-4936) umol/mmol creatinineAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified1666.67-4333.33 umol/mmol creatinineAdult (>18 years old)Not SpecifiedNormal
    • Geigy scientific ...
details
UrineDetected and Quantified2993.4 (0.0-1710.5) umol/mmol creatinineAdult (>18 years old)BothNormal
    • Geigy Scientific ...
details
UrineDetected and Quantified1315.7 +/- 592.1 umol/mmol creatinineChildren (1-13 years old)BothNormal
    • Geigy Scientific ...
details
UrineDetected and Quantified4655.740 (2327.870-8978.928) umol/mmol creatinineAdult (>18 years old)Not Available
Normal
details
UrineDetected and Quantified1893.333 +/- 493.333 umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified676.518 uMAdult (>18 years old)Male
27-hydroxylase deficiency
details
BloodDetected and Quantified2200.00 (1400.00-3000.00) uMAdult (>18 years old)BothGlycerol intolerance syndrome
    • MetaGene: Metabol...
details
BloodDetected and Quantified50250.00 (500.00-100000.00) uMChildren (1-13 years old)BothGlycerol intolerance syndrom
    • MetaGene: Metabol...
details
UrineDetected and Quantified2660.423 (1330.212-35583.159) umol/mmol creatinineAdult (>18 years old)Not Available
Fructose intolerance, hereditary
details
Associated Disorders and Diseases
Disease References
Glycerol intolerance syndrome
  1. G.Frauendienst-Egger, Friedrich K. Trefz (2017). MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de). METAGENE consortium.
Cerebrotendinous xanthomatosis
  1. Agrawal NK, Garg S: Cerebrotendinous xanthomatosis: a rare disorder with a rare presentation. BMJ Case Rep. 2012 Sep 21;2012. pii: bcr-2012-006202. doi: 10.1136/bcr-2012-006202. [PubMed:23001091 ]
Fructose intolerance, hereditary
  1. Steinmann B, Gitzelmann R: The diagnosis of hereditary fructose intolerance. Helv Paediatr Acta. 1981 Sep;36(4):297-316. [PubMed:6268573 ]
Associated OMIM IDs
  • 213700 (Cerebrotendinous xanthomatosis)
  • 229600 (Fructose intolerance, hereditary)
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB013348
KNApSAcK IDNot Available
Chemspider ID4575369
KEGG Compound IDC06262
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPhosphorus
METLIN IDNot Available
PubChem Compound5462309
PDB IDNot Available
ChEBI ID28659
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Siqueira WL, de Oliveira E, Mustacchi Z, Nicolau J: Electrolyte concentrations in saliva of children aged 6-10 years with Down syndrome. Oral Surg Oral Med Oral Pathol Oral Radiol Endod. 2004 Jul;98(1):76-9. [PubMed:15243474 ]
  2. Slatopolsky E, Gonzalez E, Martin K: Pathogenesis and treatment of renal osteodystrophy. Blood Purif. 2003;21(4-5):318-26. [PubMed:12944733 ]
  3. Goodman WG: Calcimimetic agents and secondary hyperparathyroidism: rationale for use and results from clinical trials. Pediatr Nephrol. 2003 Dec;18(12):1206-10. Epub 2003 Oct 28. [PubMed:14586685 ]
  4. Urena P, Frazao JM: Calcimimetic agents: review and perspectives. Kidney Int Suppl. 2003 Jun;(85):S91-6. [PubMed:12753275 ]
  5. Pawlowska J, Matusik H, Socha P, Ismail H, Ryzko J, Karczmarewicz E, Jankowska I, Teisseyre M, Lorenc R: Beneficial effect of liver transplantation on bone mineral density in small infants with cholestasis. Transplant Proc. 2004 Jun;36(5):1479-80. [PubMed:15251362 ]
  6. Obata T, Someya Y, Suhara T, Ota Y, Hirakawa K, Ikehira H, Tanada S, Okubo Y: Neural damage due to temporal lobe epilepsy: dual-nuclei (proton and phosphorus) magnetic resonance spectroscopy study. Psychiatry Clin Neurosci. 2004 Feb;58(1):48-53. [PubMed:14678457 ]
  7. Gandhy M, Damle SG: Relation of salivary inorganic phosphorus and alkaline phosphatase to the dental caries status in children. J Indian Soc Pedod Prev Dent. 2003 Dec;21(4):135-8. [PubMed:14765611 ]
  8. Casari S, Rossi V, Varenna M, Gasparini M, Parafioriti A, Failoni S, Sinigaglia L: A case of oncogenic osteomalacia detected by 111In-pentetreotide total body scan. Clin Exp Rheumatol. 2003 Jul-Aug;21(4):493-6. [PubMed:12942704 ]
  9. Ahn JH, Yoo CI, Lee CR, Lee JH, Lee H, Kim CY, Park JK, Sakai T, Yoon CS, Kim Y: Calcification mimicking manganese-induced increased signal intensities in T1-weighted MR images in a patient taking herbal medicine: case report. Neurotoxicology. 2003 Dec;24(6):835-8. [PubMed:14637378 ]
  10. Emmett M: A comparison of clinically useful phosphorus binders for patients with chronic kidney failure. Kidney Int Suppl. 2004 Sep;(90):S25-32. [PubMed:15296504 ]