| Properties | Image |
|---|
| MNX_ID | MNXM344082 |
 |
| reference | slm:000019087 |
| formula | C33H54O13P |
| global charge | -1 |
| mol weight | 689.756 |
| InChIKey | HJTUNSCIYYSBSL-OIHWZQMOSA-M |
| InChI | InChI=1S/C33H55O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27(35)45-25(23-43-26(34)21-4-2)24-44-47(41,42)46-33-31(39)29(37)28(36)30(38)32(33)40/h5-6,8-9,11-12,14-15,25,28-33,36-40H,3-4,7,10,13,16-24H2,1-2H3,(H,41,42)/p-1/b6-5-,9-8-,12-11-,15-14-/t25-,28-,29-,30+,31-,32-,33-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C33H55O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27(35)45-25(23-43-26(34)21-4-2)24-44-47(41,42)46-33-31(39)29(37)28(36)30(38)32(33)40/h5-6,8-9,11-12,14-15,25,28-33,36-40H,3-4,7,10,13,16-24H2,1-2H3,(H,41,42)/b6-5-,9-8-,12-11-,15-14-/t25-,28-,29-,30+,31-,32-,33-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][C:27](=[O:35])[O:45][C@H:25]([CH2:23][O:43][C:26]([CH2:21][CH2:4][CH3:2])=[O:34])[CH2:24][O:44][P:47]([OH:41])(=[O:42])[O:46][C@@H:33]1[C@H:31]([OH:39])[C@H:29]([OH:37])[C@@H:28]([OH:36])[C@H:30]([OH:38])[C@H:32]1[OH:40] |
|