| Properties | Image |
|---|
| MNX_ID | MNXM345813 |
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| reference | slm:000456664 |
| formula | C34H63O16P2 |
| global charge | -3 |
| mol weight | 789.81 |
| InChIKey | KDBKFYRUCMCULU-LHGIAXRSSA-K |
| InChI | InChI=1S/C34H66O16P2/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-28(36)48-26(24-46-27(35)22-20-18-16-10-8-6-4-2)25-47-52(44,45)50-34-31(39)29(37)30(38)33(32(34)40)49-51(41,42)43/h26,29-34,37-40H,3-25H2,1-2H3,(H,44,45)(H2,41,42,43)/p-3/t26-,29+,30+,31-,32-,33-,34+/m1/s1 |
| SMILES | CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)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/C34H66O16P2/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-28(36)48-26(24-46-27(35)22-20-18-16-10-8-6-4-2)25-47-52(44,45)50-34-31(39)29(37)30(38)33(32(34)40)49-51(41,42)43/h26,29-34,37-40H,3-25H2,1-2H3,(H,44,45)(H2,41,42,43)/t26-,29+,30+,31-,32-,33-,34+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][C:28](=[O:36])[O:48][C@H:26]([CH2:24][O:46][C:27]([CH2:22][CH2:20][CH2:18][CH2:16][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:35])[CH2:25][O:47][P:52]([OH:44])(=[O:45])[O:50][C@H:34]1[C@H:31]([OH:39])[C@@H:29]([OH:37])[C@H:30]([OH:38])[C@@H:33]([O:49][P:51]([OH:41])([OH:42])=[O:43])[C@H:32]1[OH:40] |
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