| Properties | Image |
|---|
| MNX_ID | MNXM356816 |
 |
| reference | slm:000456922 |
| formula | C58H103O16P2 |
| global charge | -3 |
| mol weight | 1118.394 |
| InChIKey | SHUTYXKMUIBQFK-KZLUBWCISA-K |
| InChI | InChI=1S/C58H106O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-31-33-35-37-39-41-43-45-47-52(60)72-50(49-71-76(68,69)74-58-55(63)53(61)54(62)57(56(58)64)73-75(65,66)67)48-70-51(59)46-44-42-40-38-36-34-32-30-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23-24,26-27,50,53-58,61-64H,3-10,12,14-16,18,20-22,25,28-49H2,1-2H3,(H,68,69)(H2,65,66,67)/p-3/b13-11-,19-17-,24-23-,27-26-/t50-,53+,54+,55-,56-,57-,58+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)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/C58H106O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-31-33-35-37-39-41-43-45-47-52(60)72-50(49-71-76(68,69)74-58-55(63)53(61)54(62)57(56(58)64)73-75(65,66)67)48-70-51(59)46-44-42-40-38-36-34-32-30-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23-24,26-27,50,53-58,61-64H,3-10,12,14-16,18,20-22,25,28-49H2,1-2H3,(H,68,69)(H2,65,66,67)/b13-11-,19-17-,24-23-,27-26-/t50-,53+,54+,55-,56-,57-,58+/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][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:52](=[O:60])[O:72][C@H:50]([CH2:48][O:70][C:51]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:59])[CH2:49][O:71][P:76]([OH:68])(=[O:69])[O:74][C@H:58]1[C@H:55]([OH:63])[C@@H:53]([OH:61])[C@H:54]([OH:62])[C@@H:57]([O:73][P:75]([OH:65])([OH:66])=[O:67])[C@H:56]1[OH:64] |
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