Glyceryl 1,3-dioleate
PubChem CID: 5497165
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| Compound Synonyms | 1,3-Diolein, 2465-32-9, 1,3-Dioleoylglycerol, Glycerol 1,3-dioleate, Glyceryl 1,3-dioleate, 2-Hydroxy-1,3-propanediyl dioleate, sn-1,3-Dioleoylglycerol, ERF7S0XX7K, [2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate, (Z,Z)-1,3-Dioctadecenoyl glycerol, EINECS 219-569-3, Diacylglycerol(18:1/0:0/18:1), 1,3-GLYCERYL DIOLEATE, OLEIN, 1,3-DI-, 9-Octadecenoic acid (Z)-, 2-hydroxy-1,3-propanediyl ester, CHEBI:75735, DTXSID901030990, DAG(18:1/0:0/18:1), 2-Hydroxypropane-1,3-diyl dioleate, 9-Octadecenoic acid (9Z)-, 2-hydroxy-1,3-propanediyl ester, DG(18:1omega9/0:0/18:1omega9), DAG(18:1omega9/0:0/18:1omega9), Diacylglycerol(18:1omega9/0:0/18:1omega9), DG(18:1(omega-9)/0:0/18:1(omega-9)), DG(18:1/0:0/18:1), 25637-84-7, 2-hydroxypropane-1,3-diyl (9Z,9'Z)bis-octadec-9-enoate, 9-Octadecenoic acid (9Z)-, 1,1'-(2-hydroxy-1,3-propanediyl) ester, 1,3-O-dioleoylglycerol, UNII-ERF7S0XX7K, 9-Octadecenoic acid (9Z)-, diester with 1,2,3-propanetriol, (2-hydroxy-3-((Z)-octadec-9-enoyl)oxypropyl) (Z)-octadec-9-enoate, 1,3-Di(cis-9-octadecenoyl)glycerol, 1-Oleoyl-3-oleoyl-sn-glycerol, SCHEMBL3189369, CHEMBL4126969, DTXCID301516043, 1,3-di-(9Z-octadecenoyl)-glycerol, Olein, 1,3-di- (7CI,8CI), 1,3-Diolein, >=99% (GC), 1,3-di-(cis-9-octadecenoyl)glycerol, AKOS024438285, AT44904, AS-83526, FD161412, Diacylglycerol(18:1n9/0:0/18:1n9), Diacylglycerol(18:1w9/0:0/18:1w9), CS-0643326, NS00081508, DAG(18:1n9/0:0/18:1n9), DAG(18:1w9/0:0/18:1w9), DG(18:1n9/0:0/18:1n9), DG(18:1w9/0:0/18:1w9), 1-(9Z-Octadecenoyl)-3-(9Z-octadecenoyl)-sn-glycerol, Q27145509, 257044F5-73E6-431D-83A8-070E3E0E7835, 9-Octadecenoic acid (9Z)-, 2-hydroxy-1,3-propanediyl ester (9CI), 9-octadecenoic acid, 2-hydroxy-1,3-propanediyl ester, (9Z,9'Z)- |
|---|---|
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 44.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 615.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 14.3 |
| Molecular Formula | C39H72O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DRAWQKGUORNASA-CLFAGFIQSA-N |
| Fcsp3 | 0.8461538461538461 |
| Logs | -2.135 |
| Rotatable Bond Count | 36.0 |
| Logd | 5.547 |
| Compound Name | Glyceryl 1,3-dioleate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 620.538 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 620.538 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 621.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -10.348400000000002 |
| Inchi | InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17-,20-18- |
| Smiles | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asplenium Normale (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Brucea Javanica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Carpobrotus Edulis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Castanea Crenata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Centrolobium Tomentosum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Ceratophyllum Submersum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Dracocephalum Kotschyi (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Lippia Carviodora (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Myrica Nana (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Psilostrophe Cooperi (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Sideritis Tragoriganum (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Solanum Jamaicense (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Trifolium Alexandrinum (Plant) Rel Props:Source_db:cmaup_ingredients