| Properties | Image |
|---|
| MNX_ID | MNXM331681 |
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| reference | slm:000468985 |
| formula | C33H58O19P3 |
| global charge | -5 |
| mol weight | 851.73 |
| InChIKey | WNTRBMMHCFLPSU-CGRGQCJLSA-I |
| InChI | InChI=1S/C33H63O19P3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-26(34)47-23-25(49-27(35)22-20-17-8-6-4-2)24-48-55(45,46)52-31-28(36)29(37)32(50-53(39,40)41)33(30(31)38)51-54(42,43)44/h11-12,25,28-33,36-38H,3-10,13-24H2,1-2H3,(H,45,46)(H2,39,40,41)(H2,42,43,44)/p-5/b12-11-/t25-,28-,29+,30+,31-,32-,33-/m1/s1 |
| SMILES | CCCCCC/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)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C33H63O19P3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-26(34)47-23-25(49-27(35)22-20-17-8-6-4-2)24-48-55(45,46)52-31-28(36)29(37)32(50-53(39,40)41)33(30(31)38)51-54(42,43)44/h11-12,25,28-33,36-38H,3-10,13-24H2,1-2H3,(H,45,46)(H2,39,40,41)(H2,42,43,44)/b12-11-/t25-,28-,29+,30+,31-,32-,33-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:18][CH2:19][CH2:21][C:26](=[O:34])[O:47][CH2:23][C@H:25]([CH2:24][O:48][P:55]([OH:45])(=[O:46])[O:52][C@@H:31]1[C@H:28]([OH:36])[C@H:29]([OH:37])[C@@H:32]([O:50][P:53]([OH:39])([OH:40])=[O:41])[C@H:33]([O:51][P:54]([OH:42])([OH:43])=[O:44])[C@H:30]1[OH:38])[O:49][C:27]([CH2:22][CH2:20][CH2:17][CH2:8][CH2:6][CH2:4][CH3:2])=[O:35] |
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