Colneleic acid
PubChem CID: 6441681
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| Compound Synonyms | Colneleic acid, 52761-34-9, 9-(Nona-1',3'-dienoxy)non-8-enoic acid, 9-[1'E,3'Z-dien-1'-yloxy]-non-8E-enoic acid, 8-Nonenoic acid, 9-(1,3-nonadienyloxy)-, (E,E,Z)-, (8E)-9-[(1E,3Z)-nona-1,3-dien-1-yloxy]non-8-enoic acid, Colneleinsaeure, (E)-9-[(1E,3Z)-nona-1,3-dienoxy]non-8-enoic acid, SCHEMBL2369985, CHEBI:60956, (2'E,4'Z,8E)-Colneleic acid, 9-oxa-8t10t12c-18:3, 9-oxa-8t10t12c-C18:3, DTXSID501214758, LMFA10000001, HY-166258, C19827, 9-(1,3-Nonadienyloxy)-(E,E,Z)-8-Nonenoic acid, Q27130252, (8E,1'E,3'Z)-9-(1',3'-nonadienyloxy)-8-nonenoic acid, (8E)-9-[(1E,3Z)-1,3-Nonadien-1-yloxy]-8-nonenoic acid, 9-[1-l (E),3-l (Z)-NONADIENYLOXY]-8(E)-NONENOIC ACID |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Description | Product of the enzymic oxidation of potato lipids. (2'E,4'Z,8E)-Colneleic acid is found in alcoholic beverages and potato. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-9-[(1E,3Z)-nona-1,3-dienoxy]non-8-enoic acid |
| Nih Violation | False |
| Class | Fatty Acyls |
| Xlogp | 5.9 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C18H30O3 |
| Inchi Key | HHZKKFXQEIBVEV-CXXUKANQSA-N |
| Rotatable Bond Count | 14.0 |
| Synonyms | (8e,1'E,3'z)-9-(1',3'-nonadienyloxy)-8-nonenoate, (8e,1'E,3'z)-9-(1',3'-nonadienyloxy)-8-nonenoic acid, 8-Nonenoic acid, 9-(1,3-nonadienyloxy)-, (E,E,Z)-, 9-(1,3-Nonadienyloxy)-(e,e,Z)-8-nonenoic acid, 9-(Nona-1',3'-dienoxy)non-8-enoic acid, 9-Oxa-8t10t12c-18:3, 9-Oxa-8t10t12c-C18:3, Colneleic acid, Colneleinsaeure |
| Substituent Name | Medium-chain fatty acid, Unsaturated fatty acid, Straight chain fatty acid, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Compound Name | Colneleic acid |
| Kingdom | Organic compounds |
| Exact Mass | 294.219 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 294.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 294.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Inchi | InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+ |
| Smiles | CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all