1,2-Dilinoleoyl-sn-glycerol
PubChem CID: 9543729
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| Compound Synonyms | 1,2-Dilinoleoyl-sn-glycerol, 24529-89-3, Linolein, 1,2-di-, l-, Glyceryl 1,2-dilinoleate, (S)-, Diacylglycerol(36:4), Linolein, 1,2-di-, (S)-(-)-, UNII-092781L31G, (S)-glyceryl 1,2-dilinoleate, 092781L31G, DAG(36:4), DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0), (S)-2,3-Bis(linoleoyloxy)-1-propanol, 1,2-dilinoleoyl-rac-glycerol, 9,12-Octadecadienoic acid (Z,Z)-, 1-(hydroxymethyl)-1,2-ethanediyl ester, (S)-, [(2S)-3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate, 9,12-Octadecadienoic acid (9Z,12Z)-, (1S)-1-(hydroxymethyl)-1,2-ethanediyl ester, 9,12-Octadecadienoic acid (9Z,12Z)-, 1,1'-((1S)-1-(hydroxymethyl)-1,2-ethanediyl) ester, Diacylglycerol(18:2/18:2), CHEBI:77127, 1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycerol, Diacylglycerol(18:2n6/18:2n6), Diacylglycerol(18:2w6/18:2w6), DG(18:2/18:2/0:0), DAG(18:2n6/18:2n6), DAG(18:2w6/18:2w6), DG(18:2n6/18:2n6), DG(18:2w6/18:2w6), DAG(18:2/18:2), DG(18:2/18:2), (2S)-3-hydroxypropane-1,2-diyl (9Z,12Z,9'Z,12'Z)bis-octadeca-9,12-dienoate, ((2S)-3-hydroxy-2-((9Z,12Z)-octadeca-9,12-dienoyl)oxypropyl) (9Z,12Z)-octadeca-9,12-dienoate, 1,2-Dilinolein-sn-glycerol, SCHEMBL6524506, DTXSID401309796, DG(18:2omega6/18:2omega6), (S)-Glyceryl 1,2-dilinoleic acid, DAG(18:2omega6/18:2omega6), LMGL02010063, AKOS040755639, Diacylglycerol(18:2omega6/18:2omega6), PD078848, HY-117168, CS-0064036, 1,2-Di(9Z,12Z-octadecadienoyl)-rac-glycerol, DAG 18:2(omega-6)/18:2(omega-6)/0:0, Q27146669, (S)-3-Hydroxypropane-1,2-diyl (9Z,9'Z,12Z,12'Z)-bis(octadeca-9,12-dienoate) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Diacylglycerols |
| Deep Smiles | CCCCC/C=CC/C=CCCCCCCCC=O)OC[C@@H]OC=O)CCCCCCC/C=CC/C=CCCCCC)))))))))))))))))))CO |
| Heavy Atom Count | 44.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Lineolic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 752.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(2S)-3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 13.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C39H68O5 |
| Inchi Key | MQGBAQLIFKSMEM-ZHARMHCNSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 34.0 |
| Synonyms | 1-o-(9z-12z-octadecadienoyl)-2-o-(9z,12z-octadecadienoyl) glycerol |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC, CC(=O)OC, CO, COC(C)=O |
| Compound Name | 1,2-Dilinoleoyl-sn-glycerol |
| Exact Mass | 616.507 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 616.507 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 617.0 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 4.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37,40H,3-10,15-16,21-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-/t37-/m0/s1 |
| Smiles | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 4.0 |
| Egan Rule | False |
| Np Classifier Superclass | Glycerolipids |
- 1. Outgoing r'ship
FOUND_INto/from Hyoscyamus Niger (Plant) Rel Props:Reference:ISBN:9788171360536