Paullinic acid
PubChem CID: 5312518
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| Compound Synonyms | paullinic acid, cis-13-eicosenoic acid, 17735-94-3, (Z)-icos-13-enoic acid, 13Z-eicosenoic acid, 13-Eicosenoic acid, (13Z)-, 13-Eicosenoic acid, icos-13-enoic acid, C20:1n-7, CCL3CM45AT, (Z)-13-Eicosenoic acid, (Z)-eicos-13-enoic acid, (13Z)-13-Eicosenoic acid, (Z)-13-Icosenoic acid, UNII-CCL3CM45AT, (13Z)-icos-13-enoic acid, (13Z)-eicos-13-enoic acid, SCHEMBL2733334, DTXSID80402624, CHEBI:134479, URXZXNYJPAJJOQ-FPLPWBNLSA-N, LMFA01030367, AKOS027321185, MS-24525, HY-113094, CS-0059553, NS00076556, C21946, F82238, Q2707986 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | URXZXNYJPAJJOQ-FPLPWBNLSA-N |
| Rotatable Bond Count | 17.0 |
| Synonyms | 13-Icosenoic acid |
| Heavy Atom Count | 22.0 |
| Compound Name | Paullinic acid |
| Description | Paullinic acid, also known as (13z)-eicos-13-enoic acid or (Z)-13-eicosenoate, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, paullinic acid is considered to be a fatty acid lipid molecule. Paullinic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Paullinic acid can be found in fats and oils and fishes, which makes paullinic acid a potential biomarker for the consumption of these food products. Paullinic acid can be found primarily in blood. Paullinic acid is an omega-7 fatty acid find in a variety of plant sources, including guarana (Paullinia cupana) from which it gets its name. It is one of a number of eicosenoic acids . |
| Exact Mass | 310.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.287 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 258.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 310.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-icos-13-enoic acid |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7- |
| Smiles | CCCCCC/C=C\CCCCCCCCCCCC(=O)O |
| Xlogp | 7.6 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C20H38O2 |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:fooddb_chem_all