| Properties | Image |
|---|
| MNX_ID | MNXM190375 |
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| reference | slm:000451955 |
| formula | C59H103O16P2 |
| global charge | -3 |
| mol weight | 1130.405 |
| InChIKey | YYCHNPWTRDPIMI-HLYWFMBYSA-K |
| InChI | InChI=1S/C59H106O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-53(61)73-51(49-71-52(60)47-45-43-41-39-37-35-33-18-16-14-12-10-8-6-4-2)50-72-77(69,70)75-59-56(64)54(62)55(63)58(57(59)65)74-76(66,67)68/h11,13-14,16-17,19,21-22,24-25,51,54-59,62-65H,3-10,12,15,18,20,23,26-50H2,1-2H3,(H,69,70)(H2,66,67,68)/p-3/b13-11-,16-14+,19-17-,22-21-,25-24-/t51-,54+,55+,56-,57-,58-,59+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)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/C59H106O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-53(61)73-51(49-71-52(60)47-45-43-41-39-37-35-33-18-16-14-12-10-8-6-4-2)50-72-77(69,70)75-59-56(64)54(62)55(63)58(57(59)65)74-76(66,67)68/h11,13-14,16-17,19,21-22,24-25,51,54-59,62-65H,3-10,12,15,18,20,23,26-50H2,1-2H3,(H,69,70)(H2,66,67,68)/b13-11-,16-14+,19-17-,22-21-,25-24-/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][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][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][CH2:37][CH2:35][CH2:33][CH2:18]/[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: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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