Sciadonic acid
PubChem CID: 445084
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| Compound Synonyms | sciadonic acid, 7019-85-4, 5Z,11Z,14Z-eicosatrienoic acid, 5(Z),11(Z),14(Z)-Eicosatrienoic Acid, (5Z,11Z,14Z)-icosa-5,11,14-trienoic acid, UNII-69Y3H52QB5, Calthic acid, (Z,Z,Z)-5,11,14-Eicosatrienoic acid, 11,14-Eicosatrienoic acid, (Z,Z,Z)-, 69Y3H52QB5, delta5,11,14-Eicosatrienoic acid, 5,11,14-Eicosatrienoic acid, Sciadopinolenic acid, 5c,11c,14c-Eicosatrienoic acid, Eicosa-5,11,14-trienoic acid, C20:3n-6,9,15, CHEBI:82832, (5Z,11Z,14Z)- 5,11,14-Eicosatrienoic acid,, (5Z,11Z,14Z)-icosatrienoic acid, all-cis-5,11,14-eicosatrienoic acid, Icosa-5,11,14-trienoic acid, .DELTA.5,11,14-EICOSATRIENOIC ACID, Podocarpic acid (obsol.), 5,11,14-eicosatrienoate, eicosa-5,11,14-trienoic acid, (Z,Z,Z)-isomer, 5Z,11Z,14Z-Eicosatrienoate, SCHEMBL1033821, DTXSID601317197, HMS3650D13, (5Z,11Z,14Z)-eicosatrienoic acid, LMFA01030380, all-cis-5,11,14-icosatrienoic acid, AKOS040755138, PD019618, cis,cis,cis-5,11,14-Eicosatrienoic acid, cis-5,cis-11,cis-14-Eicosatrienoic acid, FA(20:3(5Z,11Z,14Z)), G91482, (5Z,11Z,14Z)-5,11,14-Eicosatrienoic acid, (5Z,11Z,14Z)-5,11,14-Eicosatrienoic acid,, SR-01000946329, SR-01000946329-1, Q27156395 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z,11Z,14Z)-icosa-5,11,14-trienoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 6.7 |
| Molecular Formula | C20H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PRHHYVQTPBEDFE-URZBRJKDSA-N |
| Fcsp3 | 0.65 |
| Logs | -2.937 |
| Rotatable Bond Count | 15.0 |
| Logd | 3.681 |
| Compound Name | Sciadonic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 306.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -5.424837999999999 |
| Inchi | InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,15-16H,2-5,8,11-14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,16-15- |
| Smiles | CCCCC/C=C\C/C=C\CCCC/C=C\CCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Torreya Grandis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Torreya Nuncifera (Plant) Rel Props:Source_db:cmaup_ingredients