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CHEBI:16285 - phytanic acid
| Formula | C20H40O2 |
| Net Charge | 0 |
| Average Mass | 312.538 |
| Monoisotopic Mass | 312.30283 |
| SMILES | CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O |
| InChI | InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22) |
| InChIKey | RLCKHJSFHOZMDR-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| phytanic acid (CHEBI:16285) has functional parent hexadecanoic acid (CHEBI:15756) |
| phytanic acid (CHEBI:16285) has parent hydride phytane (CHEBI:48937) |
| phytanic acid (CHEBI:16285) is a branched-chain saturated fatty acid (CHEBI:39417) |
| phytanic acid (CHEBI:16285) is a long-chain fatty acid (CHEBI:15904) |
| phytanic acid (CHEBI:16285) is a methyl-branched fatty acid (CHEBI:62499) |
| phytanic acid (CHEBI:16285) is conjugate acid of phytanate (CHEBI:37257) |
| Incoming Relation(s) |
| 2-hydroxyphytanic acid (CHEBI:37258) has functional parent phytanic acid (CHEBI:16285) |
| 2-oxophytanic acid (CHEBI:18168) has functional parent phytanic acid (CHEBI:16285) |
| phytanoyl-CoA (CHEBI:15538) has functional parent phytanic acid (CHEBI:16285) |
| ω-hydroxyphytanic acid (CHEBI:84925) has functional parent phytanic acid (CHEBI:16285) |
| phytanate (CHEBI:37257) is conjugate base of phytanic acid (CHEBI:16285) |
| IUPAC Name |
|---|
| 3,7,11,15-tetramethylhexadecanoic acid |
| Synonyms | Source |
|---|---|
| Phytanic acid | KEGG COMPOUND |
| 3,7,11,15-tetramethyl-hexadecanoic acid | LIPID MAPS |
| 3,7,11,15-tetramethyl hexadecanoic acid | ChEBI |
| 3,7,11,15-Tetramethyl-hexadecansäure | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C01607 | KEGG COMPOUND |
| LMFA01020251 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1789963 | Reaxys |
| CAS:14721-66-5 | KEGG COMPOUND |
| CAS:14721-66-5 | ChemIDplus |
| Citations |
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