Myristelaidic acid
PubChem CID: 5312402
Connections displayed (default: 10).
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| Compound Synonyms | Myristelaidic acid, 50286-30-1, 9-Tetradecenoic acid, (9E)-, (E)-tetradec-9-enoic acid, trans-9-Tetradecenoic acid, 9E-tetradecenoic acid, (9E)-9-Tetradecenoic acid, C14:1n-5, 0WAJ36526B, (E)-9-Tetradecenoicacid, (9E)-tetradec-9-enoic acid, DTXSID901009351, 9-Tetradecenoic acid, myristelaidate, 9E-Tetradecenoate, trans-9-Tetradecenoate, 9-trans Tetradecenoic acid, (E)-tetradec-9-enoate, Myristoleinsaure, 9-tetradecenoicacid, E-9-Tetradecenoic acid, (9E)-tetradecenoic acid, 9-trans-tetradecenoic acid, SCHEMBL109271, SCHEMBL156569, UNII-0WAJ36526B, (9E)-9-Tetradecenoic acid #, DTXCID60209779, CHEBI:131381, YWWVWXASSLXJHU-AATRIKPKSA-N, LMFA01030250, AKOS032954684, 13147-06-3, HY-124141, CS-0084460, G77952, Q63396411, 633-366-0 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-tetradec-9-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C14H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YWWVWXASSLXJHU-AATRIKPKSA-N |
| Fcsp3 | 0.7857142857142857 |
| Logs | -4.047 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.098 |
| Compound Name | Myristelaidic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 226.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.631382399999999 |
| Inchi | InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5+ |
| Smiles | CCCC/C=C/CCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Asarum Heterotropoides (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Cinnamomum Glanduliferum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Conioselinum Vaginatum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Etlingera Elatior (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Pastinaca Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Petroselinum Crispum (Plant) Rel Props:Source_db:cmaup_ingredients