Glyceryl Arachidate
PubChem CID: 3246944
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| Compound Synonyms | 2,3-dihydroxypropyl icosanoate, GLYCERYL ARACHIDATE, 50906-68-8, 30208-87-8, Monoeicosanoin, Glyceryl-1-eicosanoate, Eicosanoic acid, 2,3-dihydroxypropyl ester, MG(20:0/0:0/0:0)[rac], 1-eicosanoyl-rac-glycerol, MG(20:0), alpha-Monoarachin, MG 20:0, 1-icosanoylglycerol, 1-arachidoylglycerol, 1-eicosanoylglycerol, LMGL01010007, glycerol monoarachidate, glyceryl-1-icosanoate, 1-acylglycerol 20:0, eicosanoic acid 2,3-dihydroxypropyl ester, glyceryl 1-monoarachidate, 1-Monoarachidate Glycerol, monoarachidin, AldrichCPR, 2,3-dihydroxypropyl eicosanoate, CHEMBL1288031, SCHEMBL10937708, 3-icosanoyloxy-propane-1,2-diol, CHEBI:142495, UMEKPPOFCOUEDT-UHFFFAOYSA-N, 3-eicosanoyloxy-propane-1,2-diol, DTXSID201015359, MAG 20:0, 2,3-Dihydroxypropyl-Eicosanoic Ester, icosanoic acid 2,3-dihydroxypropyl ester, PD126773, DB-220751, 5,8,11,14-Eicosatetraenoicacid,2,3-dihydroxypropyl ester,(5Z,8Z,11Z,14Z)-, 55599-18-3 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 307.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2,3-dihydroxypropyl icosanoate |
| Prediction Hob | 0.0 |
| Xlogp | 8.5 |
| Molecular Formula | C23H46O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UMEKPPOFCOUEDT-UHFFFAOYSA-N |
| Fcsp3 | 0.9565217391304348 |
| Logs | -4.709 |
| Rotatable Bond Count | 22.0 |
| Logd | 4.129 |
| Compound Name | Glyceryl Arachidate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 386.34 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.34 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 386.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.140025400000001 |
| Inchi | InChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h22,24-25H,2-21H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ixora Coccinea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all