(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoic acid
PubChem CID: 5312433
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| Compound Synonyms | 29259-52-7, (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoic acid, 4Z,7Z,10Z,13Z-hexadecatetraenoic acid, 4,7,10,13-Hexadecatetraenoic acid, (4Z,7Z,10Z,13Z)-, (all-Z)-4,7,10,13-Hexadecatetraenoic acid, 16:4(4Z,7Z,10Z,13Z), 4,7,10,13-Hexadecatetraenoic acid, (all-Z)-, LMFA01030163, 4(Z),7(Z),10(Z),13(Z)-hexadecatetraenoic acid, HEXADECATETRAENOICACID, SCHEMBL12073579, CHEBI:83030, HY-116776, CS-0066497, Q27156583, (4z,7z,10z,13z)-4,7,10,13-hexadecatetraenoic acid |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C16H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IVTCJQZAGWTMBZ-LTKCOYKYSA-N |
| Fcsp3 | 0.4375 |
| Logs | -2.98 |
| Rotatable Bond Count | 10.0 |
| Logd | 1.24 |
| Compound Name | (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 248.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 248.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Esol | -3.435169199999999 |
| Inchi | InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10,12-13H,2,5,8,11,14-15H2,1H3,(H,17,18)/b4-3-,7-6-,10-9-,13-12- |
| Smiles | CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 4.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eschweilera Coriacea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eucalyptus Cladocalyx (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Peltodon Longipes (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Podocarpus Elongata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Salvadora Persica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Ulva Pertusa (Plant) Rel Props:Source_db:cmaup_ingredients