| PDB CCD ID: | 9R2 |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C22 H42 O7 |
| InChI: | InChI=1S/C22H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23)28-16-17-19(24)20(25)21(26)22(27)29-17/h17,19-22,24-27H,2-16H2,1H3/t17-,19-,20+,21+,22+/m1/s1 |
| InChIKey: | JTWNPFJEQQORKD-ICGSVKGVSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)O)O)O)O | | CACTVS 3.385 | CCCCCCCCCCCCCCCC(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O | | CACTVS 3.385 | CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O | | OpenEye OEToolkits 2.0.6 | CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O |
|
| Name: | [(2~{R},3~{S},4~{S},5~{S},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hexadecanoate |
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