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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2012-09-11 19:42:52 UTC
Update Date2019-01-11 19:49:05 UTC
HMDB IDHMDB0034790
Secondary Accession Numbers
  • HMDB34790
Metabolite Identification
Common NamePhosphine
DescriptionPhosphine, also known as [PH3] or fosfano, is a member of the class of compounds known as homogeneous other non-metal compounds. These compounds are inorganic nonmetals in which the largest atom belongs to the class of 'other nonmetals'. Phosphine can be found primarily in blood, cerebrospinal fluid (CSF), saliva, and urine, as well as throughout most human tissues. Within the cell, phosphine is primarily located in the cytoplasm (predicted from logP). In humans, phosphine is involved in the paclitaxel pathway. Moreover, phosphine is found to be associated with glycerol intolerance syndrome. Phosphine is a non-carcinogenic (not listed by IARC) potentially toxic compound. Phosphine (IUPAC name: phosphane) is a colourless, flammable toxic gas and pnictogen hydride. Pure phosphine is odourless, but technical grade samples have a highly unpleasant odour like garlic or rotting fish due to the presence of substituted phosphine and diphosphane (P2H4). With traces of P2H4 present, PH3 is spontaneously flammable in air and burns with a luminous flame. Phosphines are also a group of organophosphorus compounds with the formula R3P (R = organic derivative). Organophosphines are important in catalysts where they complex to various metal ions. Complexes derived from a chiral phosphine can catalyze reactions to give chiral, enantioenriched products (Wikipedia). As there is no antidote for phosphine poisoning, treatment is mainly symptomatic. Artificial respiration, gastric lavage, and/or administration of activated charcoal may be necessary (L982) (T3DB). Phosphine has been shown to exhibit anti-tumor function (PMID: 12699391 ). Phosphine is a fumigant for cereals, flour, and packaged foods (FooDB).
Structure
Data?1547236145
Synonyms
ValueSource
15PChEBI
FosforoChEBI
PChEBI
PhosphorChEBI
PhosphoreChEBI
Hittorf'S phosphorusHMDB
PhosphorousHMDB
Phosphorus-30HMDB
Red phosphorusHMDB
Violet phosphorusHMDB
White phosphorusHMDB
Chemical FormulaH3P
Average Molecular Weight33.9976
Monoisotopic Molecular Weight33.997236608
IUPAC Namephosphanylidyne
Traditional Namephosphanylidyne
CAS Registry Number7803-51-2
SMILES
P
InChI Identifier
InChI=1S/H3P/h1H3
InChI KeyXYFCBTPGUUZFHI-UHFFFAOYSA-N
Chemical Taxonomy
DescriptionThis compound belongs to the class of chemical entities 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'.
KingdomChemical entities
Super ClassInorganic compounds
ClassHomogeneous non-metal compounds
Sub ClassHomogeneous other non-metal compounds
Direct ParentHomogeneous other non-metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous other non metal
Molecular FrameworkNot Available
External Descriptors
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Source:

Role

Environmental role:

Industrial application:

Biological role:

Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting Point-132.5 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted 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
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9000000000-88317f9b56fea79262a0JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-9000000000-0ff3e41d21c9c6b5734bJSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-9000000000-0ff3e41d21c9c6b5734bJSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-9000000000-0ff3e41d21c9c6b5734bJSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-e5f6a63c9b1574340f61JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-e5f6a63c9b1574340f61JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-e5f6a63c9b1574340f61JSpectraViewer | MoNA
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB003520
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
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Caruso F, Rossi M, Tanski J, Pettinari C, Marchetti F: Antitumor activity of the mixed phosphine gold species chlorotriphenylphosphine-1,3-bis(diphenylphosphino)propanegold(I). J Med Chem. 2003 Apr 24;46(9):1737-42. [PubMed:12699391 ]
  2. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .