13Z,16Z-docosadienoic acid
PubChem CID: 5312554
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| Compound Synonyms | 13Z,16Z-docosadienoic acid, 17735-98-7, (13Z,16Z)-Docosa-13,16-dienoic acid, 13C,16C-DOCOSADIENOIC ACID, 13,16-Docosadienoic acid, (13Z,16Z)-, (13Z,16Z)-docosadienoic acid, C22:2n-6,9, (13Z,16Z)-13,16-Docosadienoic acid, CHEMBL4240217, cis-13,16-Docosadienoic acid, Docosadienoate (22:2n6), 13(Z),16(Z)-Docosadienoic Acid, LMFA01030405, BT5EG9E9ZY, SCHEMBL842117, cis-13,16 docosadienoic acid, cis-13,16-Docasadienoic acid, CHEBI:75117, HVGRZDASOHMCSK-HZJYTTRNSA-N, all-cis-13,16-docosadienoic acid, cis-13,cis-16-docosadienoic acid, BDBM50463975, 13,16-Docosadienoic acid, (Z,Z)-, FA(22:2), PD043825, DB-214593, HY-114610, CS-0063551, FA(22:2(13Z,16Z)), Q24954474, cis-13,16-Docosadienoic acid, 13-cis,16-cis-Docoadienoic acid |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 318.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (13Z,16Z)-docosa-13,16-dienoic acid |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Xlogp | 8.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C22H40O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HVGRZDASOHMCSK-HZJYTTRNSA-N |
| Fcsp3 | 0.7727272727272727 |
| Logs | -2.749 |
| Rotatable Bond Count | 18.0 |
| Logd | 3.95 |
| Synonyms | (13Z,16Z)-Docosa-13,16-dienoic acid, 13Z,16Z-Docosadienoic acid, C22:2N-6,9, cis-13,16 Docosadienoic acid, (13Z,16Z)-Docosa-13,16-dienoate, 13Z,16Z-Docosadienoate, cis-13,16 Docosadienoate, (13Z,16Z)-Docosadienoate, (13Z,16Z)-13,16-Docosadienoate, (13Z,16Z)-13,16-Docosadienoic acid, (13Z,16Z)-Docosadienoic acid, Docosadienoate, Docosadienoic acid, FA(22:2(13Z,16Z)), FA(22:2n6), all-cis-13,16-Docosadienoate, all-cis-13,16-Docosadienoic acid, cis-13,cis-16-Docosadienoate, cis-13,cis-16-Docosadienoic acid |
| Compound Name | 13Z,16Z-docosadienoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.303 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.303 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 336.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -6.484271999999999 |
| Inchi | InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6-,10-9- |
| Smiles | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Very long-chain fatty acids |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:cmaup_ingredients