Methyl dihomo-gamma-linolenate
PubChem CID: 5363092
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| Compound Synonyms | 21061-10-9, cis-8,11,14-Eicosatrienoic acid methyl ester, Methyl dihomo-gamma-linolenate, 8,11,14-Eicosatrienoic acid, methyl ester, (8Z,11Z,14Z)-, LQD3YK782Q, Methyl dihomo-.gamma.-linolenate, Methyl 8,11,14-eicosatrienoate, Methyl eicosa-8,11,14-trienoate, UNII-LQD3YK782Q, Dihomo-, A-linolenic acid methyl ester, Dihomo-gamma-linolenic acid methyl ester, Methyl 8,11,14-eicosatrienoate, (Z,Z,Z)-, methyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate, Dihomo-.gamma.-Linolenic Acid methyl ester, Methyl eicosa-8,11,14-trienoate, (Z,Z,Z)-, 8,11,14-Eicosatrienoic acid, methyl ester, (Z,Z,Z)-, Methyl DGLA, Fame 20:3n-6, 8,11,14-Eicosatrienoic acid, methyl ester, (Z,Z,Z)- (8CI), Dihomo-?-linolenic acid methyl ester, Methyl dihomo-?-linolenate, Methyl eicosa-8,11,14-trienoate, cis-8,11,14-Eicosatrienoic acid methyl ester, cis-8,11,14-Eicosatrienoic acid-methyl ester, DTXSID90334008, CHEBI:180989, HMS3649L22, MFCD00673446, AKOS027382357, Dihomo-??-Linolenic acid methyl ester, AS-80704, PD020400, Dihomo- gamma -Linolenic Acid methyl ester, HY-116015, CS-0063511, G78248, (z,z,z)8,11,14-eicosatrienoic acid methyl ester, SR-01000946740, Methyl (8Z,11Z,14Z)-8,11,14-icosatrienoate #, SR-01000946740-1, Q27283125, cis-8,11,14-Eicosatrienoic acid methyl ester, >=99% |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 340.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate |
| Prediction Hob | 0.0 |
| Xlogp | 7.3 |
| Molecular Formula | C21H36O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QHATYOWJCAQINT-JPFHKJGASA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.226 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.347 |
| Compound Name | Methyl dihomo-gamma-linolenate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 320.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 320.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -5.3198054 |
| Inchi | InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14H,3-6,9,12,15-20H2,1-2H3/b8-7-,11-10-,14-13- |
| Smiles | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients