| Properties | Image |
|---|
| MNX_ID | MNXM292195 |
 |
| reference | slm:000455185 |
| formula | C59H95O16P2 |
| global charge | -3 |
| mol weight | 1122.341 |
| InChIKey | ZDJZOJVEBZPSRZ-JRCTVCTASA-K |
| InChI | InChI=1S/C59H98O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-46-48-53(61)73-51(50-72-77(69,70)75-59-56(64)54(62)55(63)58(57(59)65)74-76(66,67)68)49-71-52(60)47-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-24,26-27,29,31,35,37,51,54-59,62-65H,3-5,7,9-10,15-16,21-22,25,28,30,32-34,36,38-50H2,1-2H3,(H,69,70)(H2,66,67,68)/p-3/b8-6-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,31-29-,37-35-/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\CCCCCC(=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](O)[C@H]1O)OC(=O)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H98O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-46-48-53(61)73-51(50-72-77(69,70)75-59-56(64)54(62)55(63)58(57(59)65)74-76(66,67)68)49-71-52(60)47-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-24,26-27,29,31,35,37,51,54-59,62-65H,3-5,7,9-10,15-16,21-22,25,28,30,32-34,36,38-50H2,1-2H3,(H,69,70)(H2,66,67,68)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,31-29-,37-35-/t51-,54+,55+,56-,57-,58-,59+/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:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:53](=[O:61])[O:73][C@H:51]([CH2:49][O:71][C:52]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39]/[CH:37]=[CH:35]\[CH2:33]/[CH:31]=[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:60])[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] |
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