| Properties | Image |
|---|
| MNX_ID | MNXM184532 |
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| reference | slm:000445509 |
| formula | C33H54O19P3 |
| global charge | -5 |
| mol weight | 847.698 |
| InChIKey | VUZYSRQNKAWPRS-JWMJWYTBSA-I |
| InChI | InChI=1S/C33H59O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(35)47-23-26(49-25(2)34)24-48-55(45,46)52-33-29(37)31(50-53(39,40)41)28(36)32(30(33)38)51-54(42,43)44/h7-8,10-11,13-14,26,28-33,36-38H,3-6,9,12,15-24H2,1-2H3,(H,45,46)(H2,39,40,41)(H2,42,43,44)/p-5/b8-7-,11-10-,14-13-/t26-,28-,29-,30-,31-,32+,33-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](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)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C33H59O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(35)47-23-26(49-25(2)34)24-48-55(45,46)52-33-29(37)31(50-53(39,40)41)28(36)32(30(33)38)51-54(42,43)44/h7-8,10-11,13-14,26,28-33,36-38H,3-6,9,12,15-24H2,1-2H3,(H,45,46)(H2,39,40,41)(H2,42,43,44)/b8-7-,11-10-,14-13-/t26-,28-,29-,30-,31-,32+,33-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:27](=[O:35])[O:47][CH2:23][C@H:26]([CH2:24][O:48][P:55]([OH:45])(=[O:46])[O:52][C@@H:33]1[C@H:29]([OH:37])[C@H:31]([O:50][P:53]([OH:39])([OH:40])=[O:41])[C@@H:28]([OH:36])[C@H:32]([O:51][P:54]([OH:42])([OH:43])=[O:44])[C@H:30]1[OH:38])[O:49][C:25]([CH3:2])=[O:34] |
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