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CHEBI:83508 - perfluorooctyl phosphate

ChEBI IDCHEBI:83508
ChEBI Nameperfluorooctyl phosphate
Stars
DefinitionA monoalkyl phosphate that is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol in which the hydroxyl hydrogen is substituted by a phosphate group.
Last Modified13 November 2014
DownloadsMolfile
FormulaC8H6F13O4P
Net Charge0
Average Mass444.080
Monoisotopic Mass443.97961
SMILESO=P(O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F13O4P/c9-3(10,1-2-25-26(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H2,22,23,24)
InChIKeyFZTRDYSPWWJCOF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
perfluorooctyl phosphate (CHEBI:83508) has role environmental contaminant (CHEBI:78298)
perfluorooctyl phosphate (CHEBI:83508) has role xenobiotic (CHEBI:35703)
perfluorooctyl phosphate (CHEBI:83508) is a monoalkyl phosphate (CHEBI:25381)
perfluorooctyl phosphate (CHEBI:83508) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl dihydrogen phosphate