trans-11-Eicosenoic acid
PubChem CID: 5282769
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| Compound Synonyms | 62322-84-3, trans-11-eicosenoic acid, (E)-icos-11-enoic acid, 11Tr-eicosenoic acid, (11E)-11-Eicosenoic acid, trans-gondoic acid, 2462-94-4, icos-11-enoic acid, 11E-eicosenoic acid, 11-Eicosenoic acid, (11E)-, trans-11-icosenoic acid, 11-trans-eicosenoic acid, NLK3O5O6L3, 11-Eicosenoic acid, (E)-, C20:1n-9, MFCD00070079, UNII-NLK3O5O6L3, UNII-8AH862AO6J, SCHEMBL148673, SCHEMBL309675, 8AH862AO6J, BITHHVVYSMSWAG-MDZDMXLPSA-N, CHEBI:180275, DTXSID001348007, 11-EICOSENOIC ACID, TRANS, LMFA01030086, AKOS015839817, NCGC00484923-01, AS-76442, PD060483, trans-11-Eicosenoic acid, analytical standard, G76780, Q27284938 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 258.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-icos-11-enoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 7.6 |
| Molecular Formula | C20H38O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BITHHVVYSMSWAG-MDZDMXLPSA-N |
| Fcsp3 | 0.85 |
| Logs | -4.927 |
| Rotatable Bond Count | 17.0 |
| Logd | 3.98 |
| Compound Name | trans-11-Eicosenoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.287 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 310.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.136836400000001 |
| Inchi | InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9+ |
| Smiles | CCCCCCCC/C=C/CCCCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Lithospermum Erythrorhizon (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients