Glycerides, C14-26
PubChem CID: 107036
Connections displayed (default: 10).
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| Compound Synonyms | 1-heptadecanoyl-rac-glycerol, 5638-14-2, 2,3-dihydroxypropyl heptadecanoate, Heptadecanoic acid, 2,3-dihydroxypropyl ester, margarin, Heptadecanoin, 1-margaroyl-glycerol, JK7K7PLW5C, EINECS 268-085-9, MG(17:0/0:0/0:0)[rac], MONOHEPTADECANOIN, MG 17:0, UNII-JK7K7PLW5C, SCHEMBL2507785, DTXSID20276028, DTXSID50867423, CHEBI:144339, DTXCID901506571, MAG 17:0, HY-N12224, LMGL01010002, AKOS028110735, PD126434, CS-0895635, 1-Heptadecanoyl-rac-glycerol, >=98% (HPLC), 268-085-9 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 268.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dihydroxypropyl heptadecanoate |
| Prediction Hob | 0.0 |
| Xlogp | 6.9 |
| Molecular Formula | C20H40O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SVUQHVRAGMNPLW-UHFFFAOYSA-N |
| Fcsp3 | 0.95 |
| Logs | -4.397 |
| Rotatable Bond Count | 19.0 |
| Logd | 3.96 |
| Compound Name | Glycerides, C14-26 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.293 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.293 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 344.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.0502232 |
| Inchi | InChI=1S/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h19,21-22H,2-18H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCC(=O)OCC(CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Candidum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysanthum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysotoxum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Dendrobium Loddigesii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients