| Properties | Image |
|---|
| MNX_ID | MNXM298805 |
 |
| reference | slm:000468161 |
| formula | C59H88O19P3 |
| global charge | -5 |
| mol weight | 1194.256 |
| InChIKey | FGURBPQRSYZYKC-YMJRMZDNSA-I |
| InChI | InChI=1S/C59H93O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-29-31-33-35-37-39-41-43-45-47-52(60)73-49-51(50-74-81(71,72)78-57-54(62)55(63)58(76-79(65,66)67)59(56(57)64)77-80(68,69)70)75-53(61)48-46-44-42-40-38-36-34-32-30-27-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-25,27-29,32-35,38,40,51,54-59,62-64H,3-4,9-10,15-16,21-22,26,30-31,36-37,39,41-50H2,1-2H3,(H,71,72)(H2,65,66,67)(H2,68,69,70)/p-5/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,27-24-,29-28-,34-32-,35-33-,40-38-/t51-,54-,55+,56+,57-,58-,59-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C59H93O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-29-31-33-35-37-39-41-43-45-47-52(60)73-49-51(50-74-81(71,72)78-57-54(62)55(63)58(76-79(65,66)67)59(56(57)64)77-80(68,69)70)75-53(61)48-46-44-42-40-38-36-34-32-30-27-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-25,27-29,32-35,38,40,51,54-59,62-64H,3-4,9-10,15-16,21-22,26,30-31,36-37,39,41-50H2,1-2H3,(H,71,72)(H2,65,66,67)(H2,68,69,70)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,27-24-,29-28-,34-32-,35-33-,40-38-/t51-,54-,55+,56+,57-,58-,59-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:28]=[CH:29]\[CH2:31]/[CH:33]=[CH:35]\[CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:52](=[O:60])[O:73][CH2:49][C@H:51]([CH2:50][O:74][P:81]([OH:71])(=[O:72])[O:78][C@@H:57]1[C@H:54]([OH:62])[C@H:55]([OH:63])[C@@H:58]([O:76][P:79]([OH:65])([OH:66])=[O:67])[C@H:59]([O:77][P:80]([OH:68])([OH:69])=[O:70])[C@H:56]1[OH:64])[O:75][C:53]([CH2:48][CH2:46][CH2:44][CH2:42]/[CH:40]=[CH:38]\[CH2:36]/[CH:34]=[CH:32]\[CH2:30]/[CH:27]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:61] |
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