| Properties | Image |
|---|
| MNX_ID | MNXM187907 |
 |
| reference | slm:000014587 |
| formula | C46H80O13P |
| global charge | -1 |
| mol weight | 872.107 |
| InChIKey | DNRCTTCXERGOFZ-RIIVVDIPSA-M |
| InChI | InChI=1S/C46H81O13P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-31-34-40(48)58-38(35-56-39(47)33-30-27-25-22-23-26-29-32-37(2)3)36-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53/h8-9,11-12,14-15,17-18,37-38,41-46,49-53H,4-7,10,13,16,19-36H2,1-3H3,(H,54,55)/p-1/b9-8-,12-11-,15-14-,18-17-/t38-,41-,42-,43+,44-,45-,46-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)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/C46H81O13P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-31-34-40(48)58-38(35-56-39(47)33-30-27-25-22-23-26-29-32-37(2)3)36-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53/h8-9,11-12,14-15,17-18,37-38,41-46,49-53H,4-7,10,13,16,19-36H2,1-3H3,(H,54,55)/b9-8-,12-11-,15-14-,18-17-/t38-,41-,42-,43+,44-,45-,46-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:24][CH2:28][CH2:31][CH2:34][C:40](=[O:48])[O:58][C@H:38]([CH2:35][O:56][C:39]([CH2:33][CH2:30][CH2:27][CH2:25][CH2:22][CH2:23][CH2:26][CH2:29][CH2:32][CH:37]([CH3:2])[CH3:3])=[O:47])[CH2:36][O:57][P:60]([OH:54])(=[O:55])[O:59][C@@H:46]1[C@H:44]([OH:52])[C@H:42]([OH:50])[C@@H:41]([OH:49])[C@H:43]([OH:51])[C@H:45]1[OH:53] |
|