(6Z,9Z,12Z)-6,9,12,15-Hexadecatetraenoic acid
PubChem CID: 11957734
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| Compound Synonyms | (6Z,9Z,12Z)-6,9,12,15-Hexadecatetraenoic acid, 86995-95-1, 8QS6D3ZP66, 6,9,12,15-Hexadecatetraenoic acid, (6Z,9Z,12Z)-, UNII-8QS6D3ZP66, 6Z,9Z,12Z,15Z-hexadecatetraenoic acid, 6,9,12,15-Hexadecatetraenoic acid, (Z,Z,Z)-, (6Z,9Z,12Z)-HEXADECA-6,9,12,15-TETRAENOIC ACID, 16:4(6Z,9Z,12Z,15Z), C16:4n-1,4,7,10, CHEMBL475064, SCHEMBL12000570, CHEBI:137800, LMFA01030870, (6Z,9Z,12Z,15Z)-hexadecatetraenoic acid, Q27270908 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 298.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6Z,9Z,12Z)-hexadeca-6,9,12,15-tetraenoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C16H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OKBAWLHHZWRDBE-YSTUJMKBSA-N |
| Fcsp3 | 0.4375 |
| Logs | -3.101 |
| Rotatable Bond Count | 11.0 |
| Logd | 1.855 |
| Compound Name | (6Z,9Z,12Z)-6,9,12,15-Hexadecatetraenoic 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 | 3.0 |
| Esol | -3.514069199999999 |
| Inchi | InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2,4-5,7-8,10-11H,1,3,6,9,12-15H2,(H,17,18)/b5-4-,8-7-,11-10- |
| Smiles | C=CC/C=C\C/C=C\C/C=C\CCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pisonia Umbellifera (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Salvia Viridis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Xylocarpus Granatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all