| Properties | Image |
|---|
| MNX_ID | MNXM344379 |
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| reference | slm:000456581 |
| formula | C32H59O16P2 |
| global charge | -3 |
| mol weight | 761.756 |
| InChIKey | UOZJSGBOXCISGG-QIVFKXLMSA-K |
| InChI | InChI=1S/C32H62O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(34)46-24(22-44-25(33)20-4-2)23-45-50(42,43)48-32-29(37)27(35)28(36)31(30(32)38)47-49(39,40)41/h24,27-32,35-38H,3-23H2,1-2H3,(H,42,43)(H2,39,40,41)/p-3/t24-,27+,28+,29-,30-,31-,32+/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)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/C32H62O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(34)46-24(22-44-25(33)20-4-2)23-45-50(42,43)48-32-29(37)27(35)28(36)31(30(32)38)47-49(39,40)41/h24,27-32,35-38H,3-23H2,1-2H3,(H,42,43)(H2,39,40,41)/t24-,27+,28+,29-,30-,31-,32+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:21][C:26](=[O:34])[O:46][C@H:24]([CH2:22][O:44][C:25]([CH2:20][CH2:4][CH3:2])=[O:33])[CH2:23][O:45][P:50]([OH:42])(=[O:43])[O:48][C@H:32]1[C@H:29]([OH:37])[C@@H:27]([OH:35])[C@H:28]([OH:36])[C@@H:31]([O:47][P:49]([OH:39])([OH:40])=[O:41])[C@H:30]1[OH:38] |
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