| Properties | Image |
|---|
| MNX_ID | MNXM191419 |
 |
| reference | slm:000471172 |
| formula | C44H75O13P2 |
| global charge | -3 |
| mol weight | 874.019 |
| InChIKey | PQXQDOJUVNWXPB-GUSMUNBJSA-K |
| InChI | InChI=1S/C44H78O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,41-42,45H,3-4,6,8-10,12,15,18,20-21,23,25-40H2,1-2H3,(H,51,52)(H2,48,49,50)/p-3/b7-5-,13-11-,16-14+,19-17-,24-22-/t41-,42+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C44H78O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,41-42,45H,3-4,6,8-10,12,15,18,20-21,23,25-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b7-5-,13-11-,16-14+,19-17-,24-22-/t41-,42+/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]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:44](=[O:47])[O:57][C@H:42]([CH2:39][O:53][C:43]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:46])[CH2:40][O:56][P:59]([OH:51])(=[O:52])[O:55][CH2:38][C@H:41]([CH2:37][O:54][P:58]([OH:48])([OH:49])=[O:50])[OH:45] |
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