| Properties | Image |
|---|
| MNX_ID | MNXM226771 |
 |
| reference | slm:000492422 |
| formula | C59H95O16P2 |
| global charge | -3 |
| mol weight | 1122.341 |
| InChIKey | HHCHQMGBFPELBW-GYAIFEKMSA-K |
| InChI | InChI=1S/C59H98O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-35-37-39-41-43-45-47-52(60)71-49-51(73-53(61)48-46-44-42-40-38-36-33-18-16-14-12-10-8-6-4-2)50-72-77(69,70)75-59-56(64)54(62)55(63)58(57(59)65)74-76(66,67)68/h6,8,11-14,17-19,21-22,24-25,27-28,33,38,40,51,54-59,62-65H,3-5,7,9-10,15-16,20,23,26,29-32,34-37,39,41-50H2,1-2H3,(H,69,70)(H2,66,67,68)/p-3/b8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,28-27-,33-18-,40-38-/t51-,54-,55-,56-,57-,58+,59-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC/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/C59H98O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-35-37-39-41-43-45-47-52(60)71-49-51(73-53(61)48-46-44-42-40-38-36-33-18-16-14-12-10-8-6-4-2)50-72-77(69,70)75-59-56(64)54(62)55(63)58(57(59)65)74-76(66,67)68/h6,8,11-14,17-19,21-22,24-25,27-28,33,38,40,51,54-59,62-65H,3-5,7,9-10,15-16,20,23,26,29-32,34-37,39,41-50H2,1-2H3,(H,69,70)(H2,66,67,68)/b8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,28-27-,33-18-,40-38-/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][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][CH2:44][CH2:42]/[CH:40]=[CH:38]\[CH2:36]/[CH:33]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:61] |
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