alpha-Glyceryl linoleate
PubChem CID: 6436630
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-Linoleoyl-(2S)-glycerol, alpha-Glyceryl linoleate, 67968-46-1, 1-Monolinolein, [(2S)-2,3-dihydroxypropyl] (9Z,12Z)-octadeca-9,12-dienoate, Glyceryl linoleate, 1-linoleoyl-sn-glycerol, Monolinolein, CHEBI:75561, Oleinate 288, 1-Linoleoyl Glycerol, 2277-28-3, alpha-Monolinolein, MGG581HK1Y, Corn glycerides, 1-LG, (9Z,12Z)-9,12-Octadecadienoic Acid (2S)-2,3-Dihydroxypropyl Ester, glycerin linoleate, 1-glyceryl ester, a-Linoleic Acid (2S)-2,3-Dihydroxypropyl Ester, (9Z,12Z)-9,12-Octadecadienoic Acid (2S)-2,3-Dihydroxypropyl Ester, , EINECS 218-901-4, 1-linoleoyl-glycerol, Glyceryl oleolinoleate, (S)-1-monolinolein, Maisine 35-1, 3-O-(9Z,12Z-Octadecadienoyl)glycerol, Linoleic acid glyceride, 2,3-Dihydroxypropyl 9,12-octadecadienoate, sn-1-monolinoleoylglycerol, UNII-MGG581HK1Y, (S)-1-O-linoleoylglycerol, 1-linoleoyl-sn-monoglyceride, CHEMBL188361, SCHEMBL4350267, (+-)-2,3-Dihydroxypropyl 9(Z),12(Z)-octadecadienoate, MAG(18:2n6/0:0), MAG(18:2w6/0:0), MG(18:2n6/0:0), MG(18:2w6/0:0), 1-(9Z,12Z)-octadecadienoyl-sn-glycerol, 1-(9Z,12Z-octadecadienoyl)-sn-glycerol, BP-29878, MAG(18:2/0:0), MG(18:2/0:0), Linoleic acid, monoester with 1,2,3-propanetriol, 9,12-Octadecadienoic acid, 2,3-dihydroxypropyl ester, MG (18:2(n-6)/0:0/0:0), Q27145395, MG(18:2(9Z,12Z)/0:0/0:0), (2S)-2,3-dihydroxypropyl (9Z,12Z)-octadeca-9,12-dienoate, 9,12-Octadecadienoic acid (Z,Z)-, 2,3-dihydroxy propyl ester, 9,12-Octadecadienoic acid, monoester with 1,2,3-propanetriol |
|---|---|
| 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;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | Q99685, Q05469, Q3SYC2, Q96PD6, Q86VF5, Q9NPH0, Q53H12, Q6UWR7 |
| Iupac Name | [(2S)-2,3-dihydroxypropyl] (9Z,12Z)-octadeca-9,12-dienoate |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Xlogp | 5.8 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Lineolic acids and derivatives |
| Molecular Formula | C21H38O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WECGLUPZRHILCT-GSNKCQISSA-N |
| Fcsp3 | 0.7619047619047619 |
| Logs | -3.56 |
| Rotatable Bond Count | 18.0 |
| State | Solid |
| Logd | 3.648 |
| Synonyms | (S)-1-Monolinolein, (S)-1-O-Linoleoylglycerol, 1-(9Z,12Z)-Octadecadienoyl-sn-glycerol, 1-(9Z,12Z-Octadecadienoyl)-sn-glycerol, 1-Linoleoyl-sn-monoglyceride, MG (18:2(N-6)/0:0/0:0), sn-1-Monolinoleoylglycerol, 1-(9Z,12Z-Octadecadienoyl)-rac-glycerol, 1-LG, 1-Linoleoyl-glycerol, 1-Monoacylglyceride, 1-Monoacylglycerol, a-Monoacylglycerol, alpha-Monoacylglycerol, MAG(18:2), MAG(18:2/0:0), MAG(18:2n6/0:0), MAG(18:2W6/0:0), MG(18:2), MG(18:2/0:0), MG(18:2n6/0:0), MG(18:2W6/0:0), 1-Monolinoleoyl-rac-glycerol, Glyceryl linoleic acid monoester, MLG CPD, Monolinolein, (9Z,12Z)-2,3-Dihydroxypropyl octadecadienoate, (±)-2,3-dihydroxypropyl 9(Z),12(Z)-octadecadienoate, 1-Glyceryl linoleate, 1-Linoleylglycerol, 1-Monolinolein, 1-O-(9Z,12Z-Octadecadienoyl)glycerol, 2,3-Dihydroxypropyl linoleate, 3-O-(9Z,12Z-Octadecadienoyl)glycerol, Glycerol 1-monolinolate, alpha-Glyceryl linoleate, alpha-Monolinolein, Α-glyceryl linoleate, Α-monolinolein |
| Compound Name | alpha-Glyceryl linoleate |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aliphatic acyclic compounds |
| 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-/m0/s1 |
| Smiles | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Lineolic acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Crotalaria Crispata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Crotalaria Nana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Crotalaria Quinquefolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Crotalaria Retusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Crotalaria Sessiliflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Crotalaria Stipularia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all