EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:35549 - perfluorooctanoic acid
| Formula | C8HF15O2 |
| Net Charge | 0 |
| Average Mass | 414.064 |
| Monoisotopic Mass | 413.97370 |
| SMILES | O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| InChI | InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25) |
| InChIKey | SNGREZUHAYWORS-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Roles: | surfactant A substance which lowers the surface tension of the medium in which it is dissolved, and/or the interfacial tension with other phases, and, accordingly, is positively adsorbed at the liquid/vapour and/or at other interfaces. environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | 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. carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. |
| Application: | endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| perfluorooctanoic acid (CHEBI:35549) has functional parent octanoic acid (CHEBI:28837) |
| perfluorooctanoic acid (CHEBI:35549) has functional parent perfluorooctane (CHEBI:38826) |
| perfluorooctanoic acid (CHEBI:35549) has role carcinogenic agent (CHEBI:50903) |
| perfluorooctanoic acid (CHEBI:35549) has role endocrine disruptor (CHEBI:138015) |
| perfluorooctanoic acid (CHEBI:35549) has role environmental contaminant (CHEBI:78298) |
| perfluorooctanoic acid (CHEBI:35549) has role surfactant (CHEBI:35195) |
| perfluorooctanoic acid (CHEBI:35549) has role xenobiotic (CHEBI:35703) |
| perfluorooctanoic acid (CHEBI:35549) is a fluoroalkanoic acid (CHEBI:35551) |
| IUPAC Name |
|---|
| pentadecafluorooctanoic acid |
| Synonyms | Source |
|---|---|
| pentadecafluoro-1-octanoic acid | ChemIDplus |
| pentadecafluoro-n-octanoic acid | ChemIDplus |
| perfluorocaprylic acid | ChemIDplus |
| perfluoroheptanecarboxylic acid | ChemIDplus |
| 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid | NIST Chemistry WebBook |
| perfluorooctanoic acid | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| Perfluorooctanoic_acid | Wikipedia |
| Citations |
|---|