| Properties | Image |
|---|
| MNX_ID | MNXM226806 |
 |
| reference | slm:000493790 |
| formula | C59H102O13P |
| global charge | -1 |
| mol weight | 1050.426 |
| InChIKey | XKAZOAJSQODTAF-MLCKOTFJSA-M |
| InChI | InChI=1S/C59H103O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-35-37-39-41-43-45-47-52(60)69-49-51(50-70-73(67,68)72-59-57(65)55(63)54(62)56(64)58(59)66)71-53(61)48-46-44-42-40-38-36-33-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,24-25,27-28,38,40,51,54-59,62-66H,3-10,12,14-16,18,20,23,26,29-37,39,41-50H2,1-2H3,(H,67,68)/p-1/b13-11-,19-17-,22-21-,25-24-,28-27-,40-38-/t51-,54-,55-,56+,57-,58-,59-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H103O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-35-37-39-41-43-45-47-52(60)69-49-51(50-70-73(67,68)72-59-57(65)55(63)54(62)56(64)58(59)66)71-53(61)48-46-44-42-40-38-36-33-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,24-25,27-28,38,40,51,54-59,62-66H,3-10,12,14-16,18,20,23,26,29-37,39,41-50H2,1-2H3,(H,67,68)/b13-11-,19-17-,22-21-,25-24-,28-27-,40-38-/t51-,54-,55-,56+,57-,58-,59-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:52](=[O:60])[O:69][CH2:49][C@H:51]([CH2:50][O:70][P:73]([OH:67])(=[O:68])[O:72][C@@H:59]1[C@H:57]([OH:65])[C@H:55]([OH:63])[C@@H:54]([OH:62])[C@H:56]([OH:64])[C@H:58]1[OH:66])[O:71][C:53]([CH2:48][CH2:46][CH2:44][CH2:42]/[CH:40]=[CH:38]\[CH2:36][CH2:33][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:61] |
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