Beta-dimorphecolic acid, (+/-)-
PubChem CID: 5282945
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Dimorphecolic acid, ZCJ7V6WHP4, 9-(E,E)-Hode, 9-Hydroxy-10(E),12(E)-octadecadienoic acid, 15514-85-9, 9-hydroxy-10,12-octadecadienoic acid, (+/-)-beta-Dimorphecolic acid, (10E,12E)-9-hydroxyoctadeca-10,12-dienoic acid, beta-Dimorphecolic acid, (+/-)-, UNII-ZCJ7V6WHP4, (10E,12E)-9-Hydroxy-10,12-octadecadienoic acid, 9-hydroxy-10E,12E-octadecadienoic acid, 10,12-Octadecadienoic acid, 9-hydroxy-, (10E,12E)-, (+/-)-.BETA.-DIMORPHECOLIC ACID, .BETA.-DIMORPHECOLIC ACID, (+/-)-, 9-hydroxy-trans-10,trans-12-octadecadienoic acid, 115185-06-3, Compound NP-020521, SCHEMBL677679, ()9-HODE, CHEMBL457771, MEGxp0_000214, ACon1_002422, 18104-44-4, LMFA02000152, AKOS040738004, NCGC00169863-01, HY-113077, BRD-A71312581-001-01-5, Q61716223 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | NPDSHTNEKLQQIJ-SIGMCMEVSA-N |
| Rotatable Bond Count | 14.0 |
| Heavy Atom Count | 21.0 |
| Compound Name | Beta-dimorphecolic acid, (+/-)- |
| Exact Mass | 296.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.235 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 295.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 296.4 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (10E,12E)-9-hydroxyoctadeca-10,12-dienoic acid |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+ |
| Smiles | CCCCC/C=C/C=C/C(CCCCCCCC(=O)O)O |
| Xlogp | 5.3 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C18H32O3 |
- 1. Outgoing r'ship
FOUND_INto/from Coix Lacryma-Jobi (Plant) Rel Props:Source_db:npass_chem_all