5,8,11,14,17-cis-Eicosapentaenoic acid
PubChem CID: 70198906
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| Compound Synonyms | SCHEMBL606295, JAZBEHYOTPTENJ-OVMGVPPPSA-N, 5,8,11,14,17-cis-eicosapentaenoic acid, cis-5, 8, 11, 14, 17-eicosapentaenoic acid |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 398.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z)-icosa-5,8,11,14,17-pentaenoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C20H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JAZBEHYOTPTENJ-OVMGVPPPSA-N |
| Fcsp3 | 0.45 |
| Logs | -4.452 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.348 |
| Compound Name | 5,8,11,14,17-cis-Eicosapentaenoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 302.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 5.0 |
| Esol | -4.8199396 |
| Inchi | InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3?,7-6?,10-9?,13-12?,16-15- |
| Smiles | CCC=CCC=CCC=CCC=CC/C=C\CCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients