| Properties | Image |
|---|
| MNX_ID | MNXM338292 |
 |
| reference | slm:000469145 |
| formula | C26H44O19P3 |
| global charge | -5 |
| mol weight | 753.541 |
| InChIKey | JRZSKBASCBDAGV-FAJGCZTFSA-I |
| InChI | InChI=1S/C26H49O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-20(28)40-16-18(42-19(27)4-2)17-41-48(38,39)45-24-21(29)22(30)25(43-46(32,33)34)26(23(24)31)44-47(35,36)37/h7-8,18,21-26,29-31H,3-6,9-17H2,1-2H3,(H,38,39)(H2,32,33,34)(H2,35,36,37)/p-5/b8-7-/t18-,21-,22+,23+,24-,25-,26-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C26H49O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-20(28)40-16-18(42-19(27)4-2)17-41-48(38,39)45-24-21(29)22(30)25(43-46(32,33)34)26(23(24)31)44-47(35,36)37/h7-8,18,21-26,29-31H,3-6,9-17H2,1-2H3,(H,38,39)(H2,32,33,34)(H2,35,36,37)/b8-7-/t18-,21-,22+,23+,24-,25-,26-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:20](=[O:28])[O:40][CH2:16][C@H:18]([CH2:17][O:41][P:48]([OH:38])(=[O:39])[O:45][C@@H:24]1[C@H:21]([OH:29])[C@H:22]([OH:30])[C@@H:25]([O:43][P:46]([OH:32])([OH:33])=[O:34])[C@H:26]([O:44][P:47]([OH:35])([OH:36])=[O:37])[C@H:23]1[OH:31])[O:42][C:19]([CH2:4][CH3:2])=[O:27] |
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