| Properties | Image |
|---|
| MNX_ID | MNXM217806 |
 |
| reference | slm:000452937 |
| formula | C39H65O16P2 |
| global charge | -3 |
| mol weight | 851.881 |
| InChIKey | MZNWPNDQYFQSFK-HFOPTGOHSA-K |
| InChI | InChI=1S/C39H68O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(41)51-29-32(53-31(2)40)30-52-57(49,50)55-39-36(44)34(42)35(43)38(37(39)45)54-56(46,47)48/h7-8,10-11,13-14,16-17,32,34-39,42-45H,3-6,9,12,15,18-30H2,1-2H3,(H,49,50)(H2,46,47,48)/p-3/b8-7-,11-10-,14-13-,17-16-/t32-,34+,35+,36-,37-,38-,39+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C39H68O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(41)51-29-32(53-31(2)40)30-52-57(49,50)55-39-36(44)34(42)35(43)38(37(39)45)54-56(46,47)48/h7-8,10-11,13-14,16-17,32,34-39,42-45H,3-6,9,12,15,18-30H2,1-2H3,(H,49,50)(H2,46,47,48)/b8-7-,11-10-,14-13-,17-16-/t32-,34+,35+,36-,37-,38-,39+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][C:33](=[O:41])[O:51][CH2:29][C@H:32]([CH2:30][O:52][P:57]([OH:49])(=[O:50])[O:55][C@H:39]1[C@H:36]([OH:44])[C@@H:34]([OH:42])[C@H:35]([OH:43])[C@@H:38]([O:54][P:56]([OH:46])([OH:47])=[O:48])[C@H:37]1[OH:45])[O:53][C:31]([CH3:2])=[O:40] |
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