| Properties | Image |
|---|
| MNX_ID | MNXM226015 |
 |
| reference | slm:000472379 |
| formula | C57H99O13P2 |
| global charge | -3 |
| mol weight | 1054.354 |
| InChIKey | XGIUPNXLFKOCGH-PTNYYSLJSA-K |
| InChI | InChI=1S/C57H102O13P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-56(59)66-52-55(53-69-72(64,65)68-51-54(58)50-67-71(61,62)63)70-57(60)49-47-45-43-41-39-37-34-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,25-26,28-29,54-55,58H,3-4,6,8-10,12,14-16,18,20-21,24,27,30-53H2,1-2H3,(H,64,65)(H2,61,62,63)/p-3/b7-5-,13-11-,19-17-,23-22-,26-25-,29-28-/t54-,55+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H102O13P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-56(59)66-52-55(53-69-72(64,65)68-51-54(58)50-67-71(61,62)63)70-57(60)49-47-45-43-41-39-37-34-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,25-26,28-29,54-55,58H,3-4,6,8-10,12,14-16,18,20-21,24,27,30-53H2,1-2H3,(H,64,65)(H2,61,62,63)/b7-5-,13-11-,19-17-,23-22-,26-25-,29-28-/t54-,55+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:56](=[O:59])[O:66][CH2:52][C@H:55]([CH2:53][O:69][P:72]([OH:64])(=[O:65])[O:68][CH2:51][C@H:54]([CH2:50][O:67][P:71]([OH:61])([OH:62])=[O:63])[OH:58])[O:70][C:57]([CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:34][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:60] |
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