1-O-Octadecyl-sn-glycerol
PubChem CID: 10860876
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| Compound Synonyms | 1-O-Octadecyl-sn-glycerol, 6129-13-1, 1-Octadecylglycerol, Batilol, (S)-, 1-Octadecyl-sn-glycerol, LysoMG(18:0e), (2S)-3-octadecoxypropane-1,2-diol, LysoMG(O-18:0), MG(O-18:0/0:0/0:0), 05A230LN91, (s)-3-(octadecyloxy)propane-1,2-diol, 1,2-Propanediol, 3-(octadecyloxy)-, (2S)-, MAG(O-18:0/0:0/0:0), (S)-batyl alcohol, MFCD00237201, (S)-octadecylglycerol, (S)-1-octadecyl-glycerol, (S)-1-O-octadecylglycerol, SCHEMBL138481, UNII-05A230LN91, CHEBI:74001, DTXSID10446238, LMGL01020033, (S)-3-(octadecyloxy)-1,2-propanediol, (2S)-3-(octadecyloxy)propane-1,2-diol, FO111147, MG(18:0e/0:0/0:0) |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Description | 1-Octadecyl-sn-glycerol is an intermediate in ether lipid metabolism. Ether lipids are lipids in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage. [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 221.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Enzyme Uniprot Id | Q99685 |
| Iupac Name | (2S)-3-octadecoxypropane-1,2-diol |
| Prediction Hob | 0.0 |
| Xlogp | 7.6 |
| Molecular Formula | C21H44O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OGBUMNBNEWYMNJ-NRFANRHFSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.505 |
| Rotatable Bond Count | 20.0 |
| State | Solid |
| Logd | 4.066 |
| Synonyms | (2S)-3-octadecoxypropane-1,2-diol, (S)-1-O-Octadecylglycerol, (S)-3-(Octadecyloxy)-1,2-propanediol, (S)-Batyl alcohol, (S)-Octadecylglycerol, 1-O-Octadecyl-sn-glycerol, 1-Octadecyl-sn-glycerol, Batyl alcohol, LysoMG(18:0e), LysoMG(o-18:0), MAG(o-18:0/0:0/0:0) |
| Compound Name | 1-O-Octadecyl-sn-glycerol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.329 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.329 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 344.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.450696000000001 |
| Inchi | InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3/t21-/m0/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCOC[C@H](CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitex Rotundifolia (Plant) Rel Props:Source_db:cmaup_ingredients