| Properties | Image |
|---|
| MNX_ID | MNXM329658 |
 |
| reference | slm:000462538 |
| formula | C59H99O16P2 |
| global charge | -3 |
| mol weight | 1126.373 |
| InChIKey | PMKFEVUVYYMTSN-XRINMWPASA-K |
| InChI | InChI=1S/C59H102O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-53(61)73-51(49-71-52(60)47-45-43-41-39-37-35-16-14-12-10-8-6-4-2)50-72-77(69,70)75-59-56(64)54(62)58(55(63)57(59)65)74-76(66,67)68/h5,7,11,13-14,16-18,20-21,23-24,26-27,51,54-59,62-65H,3-4,6,8-10,12,15,19,22,25,28-50H2,1-2H3,(H,69,70)(H2,66,67,68)/p-3/b7-5-,13-11-,16-14-,18-17-,21-20-,24-23-,27-26-/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\CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C59H102O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-53(61)73-51(49-71-52(60)47-45-43-41-39-37-35-16-14-12-10-8-6-4-2)50-72-77(69,70)75-59-56(64)54(62)58(55(63)57(59)65)74-76(66,67)68/h5,7,11,13-14,16-18,20-21,23-24,26-27,51,54-59,62-65H,3-4,6,8-10,12,15,19,22,25,28-50H2,1-2H3,(H,69,70)(H2,66,67,68)/b7-5-,13-11-,16-14-,18-17-,21-20-,24-23-,27-26-/t51-,54-,55+,56-,57-,58+,59+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][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][CH2:37][CH2:35]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][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:58]([O:74][P:76]([OH:66])([OH:67])=[O:68])[C@@H:55]([OH:63])[C@H:57]1[OH:65] |
|