| PDB CCD ID: | CN6 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C31 H58 O17 P2 |
| InChI: | InChI=1S/C31H58O17P2/c1-5-9-10-11-12-13-14-15-18-29(34)42-22-27(48-31(36)17-7-3)24-46-50(39,40)44-20-25(32)19-43-49(37,38)45-23-26(21-41-28(33)8-4)47-30(35)16-6-2/h25-27,32H,5-24H2,1-4H3,(H,37,38)(H,39,40)/t25-,26-,27-/m1/s1 |
| InChIKey: | OCYQEYZGHKBQOW-ZONZVBGPSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | CCCCCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OC[C@H](O)CO[P@@](O)(=O)OC[C@@H](COC(=O)CC)OC(=O)CCC)OC(=O)CCC | | OpenEye OEToolkits 1.5.0 | CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COP(=O)(O)OCC(COC(=O)CC)OC(=O)CCC)O)OC(=O)CCC | | OpenEye OEToolkits 1.5.0 | CCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](COC(=O)CC)OC(=O)CCC)O)OC(=O)CCC | | CACTVS 3.341 | CCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](COC(=O)CC)OC(=O)CCC)OC(=O)CCC | | ACDLabs 10.04 | O=C(OC(COP(=O)(OCC(O)COP(=O)(O)OCC(OC(=O)CCC)COC(=O)CCCCCCCCCC)O)COC(=O)CC)CCC |
|
| Name: | (2R,5R,11S,14R)-2-(butanoyloxy)-5,8,11-trihydroxy-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate |
| ZINC: | ZINC000098208750 |
