1-Monolinolenoyl-rac-glycerol
PubChem CID: 5872092
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| Compound Synonyms | 1-Monolinolenin, monolinolenin, 1-Monolinolenoyl-rac-glycerol, 75685-85-7, 26545-75-5, CHEMBL2075041, SCHEMBL23611225, SCHEMBL23611226, MAG 18:3, 3-(9,12,15-octadecatrienoyl)-glycerol, (9E,12E,15E)-2,3-dihydroxypropyl octadeca-9,12,15-trienoate |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 385.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dihydroxypropyl (9E,12E,15E)-octadeca-9,12,15-trienoate |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | 5.1 |
| Is Pains | False |
| Molecular Formula | C21H36O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GGJRAQULURVTAJ-IUQGRGSQSA-N |
| Fcsp3 | 0.6666666666666666 |
| Rotatable Bond Count | 17.0 |
| Compound Name | 1-Monolinolenoyl-rac-glycerol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.261 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 352.261 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 352.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -4.122893 |
| Inchi | InChI=1S/C21H36O4/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/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3+,7-6+,10-9+ |
| Smiles | CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OCC(CO)O |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Setaria Italica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Solanum Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients