| Properties | Image |
|---|
| MNX_ID | MNXM183584 |
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| reference | slm:000471087 |
| formula | C44H77O13P2 |
| global charge | -3 |
| mol weight | 876.035 |
| InChIKey | BREGLSIDZSSETH-NDUGONQLSA-K |
| InChI | InChI=1S/C44H80O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-43(46)53-39-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)57-44(47)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,26,28,41-42,45H,3-10,12,14-16,19,22-25,27,29-40H2,1-2H3,(H,51,52)(H2,48,49,50)/p-3/b13-11-,18-17-,21-20-,28-26-/t41-,42+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C44H80O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-43(46)53-39-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)57-44(47)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,26,28,41-42,45H,3-10,12,14-16,19,22-25,27,29-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b13-11-,18-17-,21-20-,28-26-/t41-,42+/m0/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:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:43](=[O:46])[O:53][CH2:39][C@H:42]([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])[O:57][C:44]([CH2:36][CH2:34][CH2:32][CH2:30]/[CH:28]=[CH:26]\[CH2:23][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:47] |
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