| Properties | Image |
|---|
| MNX_ID | MNXM345703 |
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| reference | slm:000450256 |
| formula | C36H66O19P3 |
| global charge | -5 |
| mol weight | 895.827 |
| InChIKey | LWBHVKRPJGOZGC-UQMNKSLGSA-I |
| InChI | InChI=1S/C36H71O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-30(38)52-28(26-50-29(37)24-22-20-18-10-8-6-4-2)27-51-58(48,49)55-36-32(40)34(53-56(42,43)44)31(39)35(33(36)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 | CCCCCCCCCCCCCCCCC(=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](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C36H71O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-30(38)52-28(26-50-29(37)24-22-20-18-10-8-6-4-2)27-51-58(48,49)55-36-32(40)34(53-56(42,43)44)31(39)35(33(36)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][CH2:9][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][C:30](=[O:38])[O:52][C@H:28]([CH2:26][O:50][C:29]([CH2:24][CH2:22][CH2:20][CH2:18][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:37])[CH2:27][O:51][P:58]([OH:48])(=[O:49])[O:55][C@@H:36]1[C@H:32]([OH:40])[C@H:34]([O:53][P:56]([OH:42])([OH:43])=[O:44])[C@@H:31]([OH:39])[C@H:35]([O:54][P:57]([OH:45])([OH:46])=[O:47])[C@H:33]1[OH:41] |
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