| Properties | Image |
|---|
| MNX_ID | MNXM337567 |
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| reference | slm:000456330 |
| formula | C39H67O16P2 |
| global charge | -3 |
| mol weight | 853.897 |
| InChIKey | OKXAMKHHDBAUME-LFGFNJGNSA-K |
| InChI | InChI=1S/C39H70O16P2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(41)53-31(29-51-32(40)27-25-23-21-19-17-14-12-10-8-6-4-2)30-52-57(49,50)55-39-36(44)34(42)35(43)38(37(39)45)54-56(46,47)48/h7,9-10,12-13,15,31,34-39,42-45H,3-6,8,11,14,16-30H2,1-2H3,(H,49,50)(H2,46,47,48)/p-3/b9-7-,12-10-,15-13-/t31-,34+,35+,36-,37-,38-,39+/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C39H70O16P2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(41)53-31(29-51-32(40)27-25-23-21-19-17-14-12-10-8-6-4-2)30-52-57(49,50)55-39-36(44)34(42)35(43)38(37(39)45)54-56(46,47)48/h7,9-10,12-13,15,31,34-39,42-45H,3-6,8,11,14,16-30H2,1-2H3,(H,49,50)(H2,46,47,48)/b9-7-,12-10-,15-13-/t31-,34+,35+,36-,37-,38-,39+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][C:33](=[O:41])[O:53][C@H:31]([CH2:29][O:51][C:32]([CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:40])[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] |
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