Linseed Acid
PubChem CID: 860
Connections displayed (default: 10).
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| Compound Synonyms | 9,12,15-Octadecatrienoic acid, Octadeca-9,12,15-trienoic acid, 1955-33-5, Linseed acid, ?-Linolenic acid-d5, , A-Lnn, CBiol_001952, KBioGR_000096, KBioSS_000096, 9,12,15-octadecatrienic acid, 9,12,15-octadectrienoic acid, CHEMBL3560296, DTXSID7075058, KBio2_000096, KBio2_002664, KBio2_005232, KBio3_000191, KBio3_000192, DTOSIQBPPRVQHS-UHFFFAOYSA-N, Bio1_000238, Bio1_000727, Bio1_001216, Bio2_000096, Bio2_000576, BCP18966, VFA19104, AKOS028108942, NCGC00091058-11, SY013852, NS00076871, NS00082101, Q27164304 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Description | Isolated from seed oil of safflower (Carthamus tinctorius). Linolenelaidic acid is found in fats and oils. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octadeca-9,12,15-trienoic acid |
| Prediction Hob | 1.0 |
| Class | Lineolic acids and derivatives |
| Xlogp | 5.9 |
| Superclass | Lipids and lipid-like molecules |
| Molecular Formula | C18H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DTOSIQBPPRVQHS-UHFFFAOYSA-N |
| Fcsp3 | 0.6111111111111112 |
| Logs | -4.973 |
| Rotatable Bond Count | 13.0 |
| State | Liquid |
| Logd | 3.69 |
| Synonyms | (9E,12E,15E)-9,12,15-Octadecatrienoate, (9E,12E,15E)-9,12,15-Octadecatrienoic acid, Elaidolinolenic acid, Linolenelaidic acid |
| Substituent Name | Octadecanoid, Long-chain fatty acid, Fatty acyl, 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 | Linseed Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 278.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 278.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -4.7781031999999986 |
| Inchi | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20) |
| Smiles | CCC=CCC=CCC=CCCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Descurainia Sophia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Lepidium Apetalum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Plantago Asiatica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Plantago Depressa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Raphanus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all