3-Linoleoyl-sn-glycerol
PubChem CID: 40489139
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| Compound Synonyms | 3-linoleoyl-sn-glycerol, 2258-92-6, Glyceryl 1-linoleate, (R)-, G83ZAG106N, CHEBI:75563, Linolein, 1-mono-, L-(-)-, 9,12-Octadecadienoic acid (9Z,12Z)-, (2R)-2,3-dihydroxypropyl ester, 1-Monolinolein, (R)-2,3-Dihydroxypropyl (9Z,12Z)-octadeca-9,12-dienoate, 9,12-Octadecadienoic acid (Z,Z)-, 2,3-dihydroxypropyl ester, (R)-, (R)-1-monolinolein, starbld0003583, 3-linoleoyl -sn-glycerol, sn-3-monolinoleoylglycerol, UNII-G83ZAG106N, CHEMBL188186, DTXSID70862894, WECGLUPZRHILCT-KKFOGOCZSA-N, HMS3650I16, 3-(9Z,12Z)-octadecadienoyl-sn-glycerol, 9Z,12Z-Octadecadienoic acid, 1-glyceryl ester, SR-01000946293, SR-01000946293-1, MG (0:0/0:0/18:2(n-6)), Q27145396, (2R)-2,3-dihydroxypropyl (9Z,12Z)-octadeca-9,12-dienoate, [(2R)-2,3-dihydroxypropyl] (9Z,12Z)-octadeca-9,12-dienoate |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 350.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(2R)-2,3-dihydroxypropyl] (9Z,12Z)-octadeca-9,12-dienoate |
| Prediction Hob | 0.0 |
| Xlogp | 5.8 |
| Molecular Formula | C21H38O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WECGLUPZRHILCT-KKFOGOCZSA-N |
| Fcsp3 | 0.7619047619047619 |
| Logs | -3.6 |
| Rotatable Bond Count | 18.0 |
| Logd | 3.366 |
| Compound Name | 3-Linoleoyl-sn-glycerol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.277 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.277 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 354.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.497792199999999 |
| Inchi | InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1 |
| Smiles | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all