PDB CCD ID: | 3XQ |
Number of entries in BioLiP: | 11 |
Chemical formula: | C21 H42 O4 |
InChI: | InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3/t20-/m0/s1 |
InChIKey: | VBICKXHEKHSIBG-FQEVSTJZSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO | OpenEye OEToolkits 1.9.2 | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O | CACTVS 3.385 | CCCCCCCCCCCCCCCCCC(=O)OC[CH](O)CO | OpenEye OEToolkits 1.9.2 | CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O | ACDLabs 12.01 | O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC |
|
Name: | (2S)-2,3-dihydroxypropyl octadecanoate |
ZINC: | ZINC000032839026 |