| Properties | Image |
|---|
| MNX_ID | MNXM316302 |
 |
| reference | slm:000430246 |
| formula | C57H88O19P3 |
| global charge | -5 |
| mol weight | 1170.234 |
| InChIKey | FZIGKYMCWRSDAS-MCZBXJMMSA-I |
| InChI | InChI=1S/C57H93O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(58)71-47-49(48-72-79(69,70)76-55-52(60)53(61)56(74-77(63,64)65)57(54(55)62)75-78(66,67)68)73-51(59)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,36,38,49,52-57,60-62H,3-5,7,9-10,15-16,21-22,27-28,33-35,37,39-48H2,1-2H3,(H,69,70)(H2,63,64,65)(H2,66,67,68)/p-5/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t49-,52-,53-,54+,55+,56+,57+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C57H93O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(58)71-47-49(48-72-79(69,70)76-55-52(60)53(61)56(74-77(63,64)65)57(54(55)62)75-78(66,67)68)73-51(59)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,36,38,49,52-57,60-62H,3-5,7,9-10,15-16,21-22,27-28,33-35,37,39-48H2,1-2H3,(H,69,70)(H2,63,64,65)(H2,66,67,68)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t49-,52-,53-,54+,55+,56+,57+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:50](=[O:58])[O:71][CH2:47][C@H:49]([CH2:48][O:72][P:79]([OH:69])(=[O:70])[O:76][C@H:55]1[C@H:52]([OH:60])[C@@H:53]([OH:61])[C@H:56]([O:74][P:77]([OH:63])([OH:64])=[O:65])[C@@H:57]([O:75][P:78]([OH:66])([OH:67])=[O:68])[C@H:54]1[OH:62])[O:73][C:51]([CH2:46][CH2:44][CH2:42][CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[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:59] |
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