Ethyl arachidonate
PubChem CID: 5367369
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Ethyl arachidonate, 1808-26-0, Arachidonic acid ethyl ester, Arachidonic acid, ethyl ester, ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 5,8,11,14-Eicosatetraenoic acid, ethyl ester, UNII-3NU6034AW3, 3NU6034AW3, Ethyl 5,8,11,14-eicosatetraenoate (all Z), 5,8,11,14-Eicosatetraenoic acid, ethyl ester, (5Z,8Z,11Z,14Z)-, CHEBI:84873, DTXSID301016455, 5,8,11,14-Eicosatetraenoic acid, ethyl ester, (all Z)-, 5,8,11,14-Eicosatetraenoic acid, ethyl ester, (all-Z)-, ethyl (5Z,8Z,11Z,14Z)-icosatetraenoate, ethyl (5Z,8Z,11Z,14Z)-eicosatetraenoate, ethyl (5Z,8Z,11Z,14Z)-eicosa-5,8,11,14-tetraenoate, (5Z,8Z,11Z,14Z)-5,8,11,14-EICOSATETRAENOIC ACID, ETHYL ESTER, ethyl arachidonic acid, Arachidonate, ethyl ester, arachidonic ethyl ester, Ethyl (5Z,8Z,11Z,14Z)-icosatetraenoic acid, Ethyl (5Z,8Z,11Z,14Z)-eicosatetraenoic acid, Ethyl arachidonate,10%, 5,8,11,14-Eicosatetraenoic acid ethyl ester, Arachidonic acid, ethyl ester (6CI,7CI,8CI), SCHEMBL24208, Ethyl (5Z,8Z,11Z,14Z)-eicosa-5,8,11,14-tetraenoic acid, ETHYL ARACHIDONATE [INCI], DTXCID201474646, HMS3650O13, MFCD00038340, AKOS040763745, CS-W013930, HY-W013214, AC-33775, AS-75579, BP-29840, Ethyl arachidonate, >=98.5% (GC), liquid, F95711, SR-01000946819, Ethyl 5(Z),8(Z),11(Z),14(Z)-Eicosatetraenoate, SR-01000946819-1, Q27158140, (5Z,8Z,11Z,14Z)-Ethylicosa-5,8,11,14-tetraenoate, Ethyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate # |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 389.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
| Prediction Hob | 0.0 |
| Xlogp | 7.0 |
| Molecular Formula | C22H36O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SNXPWYFWAZVIAU-GKFVBPDJSA-N |
| Fcsp3 | 0.5909090909090909 |
| Logs | -3.05 |
| Rotatable Bond Count | 16.0 |
| Logd | 3.917 |
| Compound Name | Ethyl arachidonate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 332.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Esol | -5.6777736 |
| Inchi | InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3/b9-8-,12-11-,15-14-,18-17- |
| Smiles | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 4.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gynochthodes Umbellata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients