| Properties | Image |
|---|
| MNX_ID | MNXM181246 |
 |
| reference | slm:000451806 |
| formula | C59H91O16P2 |
| global charge | -3 |
| mol weight | 1118.309 |
| InChIKey | XTVHNSRUNHJGRN-UYSHGUMESA-K |
| InChI | InChI=1S/C59H94O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-47-52(60)71-49-51(50-72-77(69,70)75-59-56(64)54(62)55(63)58(57(59)65)74-76(66,67)68)73-53(61)48-46-44-42-40-38-36-34-32-29-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-24,26-27,29-32,36,38,42,44,51,54-59,62-65H,3-5,7,9-10,15-16,21-22,25,28,33-35,37,39-41,43,45-50H2,1-2H3,(H,69,70)(H2,66,67,68)/p-3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,31-30-,32-29-,38-36-,44-42-/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\CCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C59H94O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-47-52(60)71-49-51(50-72-77(69,70)75-59-56(64)54(62)55(63)58(57(59)65)74-76(66,67)68)73-53(61)48-46-44-42-40-38-36-34-32-29-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-24,26-27,29-32,36,38,42,44,51,54-59,62-65H,3-5,7,9-10,15-16,21-22,25,28,33-35,37,39-41,43,45-50H2,1-2H3,(H,69,70)(H2,66,67,68)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,31-30-,32-29-,38-36-,44-42-/t51-,54+,55+,56-,57-,58-,59+/m1/s1 |
 |
| 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:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:30]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:52](=[O:60])[O:71][CH2:49][C@H:51]([CH2:50][O:72][P:77]([OH:69])(=[O:70])[O:75][C@H:59]1[C@H:56]([OH:64])[C@@H:54]([OH:62])[C@H:55]([OH:63])[C@@H:58]([O:74][P:76]([OH:66])([OH:67])=[O:68])[C@H:57]1[OH:65])[O:73][C:53]([CH2:48][CH2:46]/[CH:44]=[CH:42]\[CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[CH:29]\[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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