Glyceryl triricinoleate
PubChem CID: 11764524
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Triricinolein, Glyceryl triricinoleate, 2540-54-7, Glycerol triricinoleate, UNII-NZ59BAU9ZN, NZ59BAU9ZN, EINECS 219-817-0, 15505-14-3, GEOPON GO 13, Ricinoleic acid triglyceride, DTXSID2051926, CHEBI:140471, 9-Octadecenoic acid, 12-hydroxy-, 1,2,3-propanetriyl ester, stereoisomer, 1,2,3-Propanetriol tri(12-hydroxy-9-octadecenoate), NSC 93749, NSC-93749, 2,3-bis[[(Z,12R)-12-hydroxyoctadec-9-enoyl]oxy]propyl (Z,12R)-12-hydroxyoctadec-9-enoate, 12-Hydroxy-9-octadecenoic acid, 1,2,3-propanetriyl ester, Propane-1,2,3-triyl tris(12-hydroxyoctadec-9-enoate), stereoisomer, 9-Octadecenoic acid, 12-hydroxy-, 1,2,3-propanetriyl ester, Ricinolein, 1,2,3-TRIS(((9Z,12R)-12-HYDROXY-9-OCTADECENOYL)OXY)PROPANE, 9-Octadecenoic acid, 12-hydroxy-, (R-(Z))-, 1,2,3-propanetriyl ester, propane-1,2,3-triyl (9Z,12R,9'Z,12'R,9''Z,12''R)tris(12-hydroxyoctadec-9-enoate), 9-OCTADECENOIC ACID, 12-HYDROXY-, 1,1',1''-(1,2,3-PROPANETRIYL) ESTER, (9Z,9'Z,9''Z,12R,12'R,12''R)-, TRIRICINOLEIN [INCI], SCHEMBL2770151, ZEMPKEQAKRGZGQ-VBJOUPRGSA-N, DTXCID301324345, AT33530, 1,2,3-tri-(12R-hydroxy-9Z-octadecenoyl)-glycerol, Q7331165, 9-OCTADECENOIC ACID, 12-HYDROXY-, (R-(Z))-, 1,2,3- PROPANETRIYL ESTER |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 140.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Triacylglycerols |
| Deep Smiles | CCCCCC[C@H]C/C=CCCCCCCCC=O)OCCOC=O)CCCCCCC/C=CC[C@@H]CCCCCC))))))O)))))))))))))))COC=O)CCCCCCC/C=CC[C@@H]CCCCCC))))))O))))))))))))))))))))))))))))O |
| Heavy Atom Count | 66.0 |
| Classyfire Class | Glycerolipids |
| Classyfire Subclass | Triradylcglycerols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1110.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | 2,3-bis[[(Z,12R)-12-hydroxyoctadec-9-enoyl]oxy]propyl (Z,12R)-12-hydroxyoctadec-9-enoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 17.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C57H104O9 |
| Inchi Key | ZEMPKEQAKRGZGQ-VBJOUPRGSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 53.0 |
| Synonyms | triricinolein |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=CC, CO, COC(C)=O |
| Compound Name | Glyceryl triricinoleate |
| Exact Mass | 932.768 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 932.768 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 933.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 3.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25-,35-26-,36-27-/t51-,52-,53-/m1/s1 |
| Smiles | CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC)COC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 3.0 |
| Egan Rule | False |
| Np Classifier Superclass | Glycerolipids |
- 1. Outgoing r'ship
FOUND_INto/from Ricinus Communis (Plant) Rel Props:Reference:ISBN:9780896038776