| Properties | Image |
|---|
| MNX_ID | MNXM359226 |
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| reference | slm:000431383 |
| formula | C36H66O19P3 |
| global charge | -5 |
| mol weight | 895.827 |
| InChIKey | HCOSMCWCHQMWOE-WJKOTVHISA-I |
| InChI | InChI=1S/C36H71O19P3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24-29(37)50-26-28(52-30(38)25-22-6-4-2)27-51-58(48,49)55-34-31(39)32(40)35(53-56(42,43)44)36(33(34)41)54-57(45,46)47/h28,31-36,39-41H,3-27H2,1-2H3,(H,48,49)(H2,42,43,44)(H2,45,46,47)/p-5/t28-,31-,32-,33+,34+,35+,36+/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCC(=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)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C36H71O19P3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24-29(37)50-26-28(52-30(38)25-22-6-4-2)27-51-58(48,49)55-34-31(39)32(40)35(53-56(42,43)44)36(33(34)41)54-57(45,46)47/h28,31-36,39-41H,3-27H2,1-2H3,(H,48,49)(H2,42,43,44)(H2,45,46,47)/t28-,31-,32-,33+,34+,35+,36+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][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][CH2:20][CH2:21][CH2:23][CH2:24][C:29](=[O:37])[O:50][CH2:26][C@H:28]([CH2:27][O:51][P:58]([OH:48])(=[O:49])[O:55][C@H:34]1[C@H:31]([OH:39])[C@@H:32]([OH:40])[C@H:35]([O:53][P:56]([OH:42])([OH:43])=[O:44])[C@@H:36]([O:54][P:57]([OH:45])([OH:46])=[O:47])[C@H:33]1[OH:41])[O:52][C:30]([CH2:25][CH2:22][CH2:6][CH2:4][CH3:2])=[O:38] |
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