CHEBI:83508 - perfluorooctyl phosphate

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ChEBI Name perfluorooctyl phosphate
ChEBI ID CHEBI:83508
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H6F13O4P
Net Charge 0
Average Mass 444.08380
Monoisotopic Mass 443.97961
InChI InChI=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)
InChIKey FZTRDYSPWWJCOF-UHFFFAOYSA-N
SMILES OP(O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): 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.
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ChEBI Ontology
Outgoing 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
Last Modified
13 November 2014