| PDB CCD ID: | A1I05 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C61 H116 O11 |
| InChI: | InChI=1S/C61H116O11/c1-4-7-10-13-16-19-22-25-27-30-33-35-38-41-44-47-55(62)68-50-53(71-57(64)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2)51-70-61-60(67)59(66)58(65)54(72-61)52-69-56(63)48-45-42-39-36-32-29-24-21-18-15-12-9-6-3/h53-54,58-61,65-67H,4-52H2,1-3H3/t53-,54+,58-,59+,60+,61-/m0/s1 |
| InChIKey: | FOFDHSVOXDANPH-DCHOAZFQSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)COC(=O)CCCCCCCCCCCCCCC)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC | | OpenEye OEToolkits 2.0.7 | CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC(=O)CCCCCCCCCCCCCCC)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC | | CACTVS 3.385 | CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[C@H]1O[C@H](COC(=O)CCCCCCCCCCCCCCC)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC | | CACTVS 3.385 | CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](COC(=O)CCCCCCCCCCCCCCC)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCCCC |
|
| Name: | [(2~{R})-3-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octadecanoyloxy-propyl] octadecanoate |
