| Properties | Image |
|---|
| MNX_ID | MNXM349677 |
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| reference | slm:000475949 |
| formula | C44H75O13P2 |
| global charge | -3 |
| mol weight | 874.019 |
| InChIKey | LAUHYWYYYIQYSH-OMVBPECNSA-K |
| InChI | InChI=1S/C44H78O13P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-44(47)57-42(39-53-43(46)35-33-31-29-27-12-10-8-6-4-2)40-56-59(51,52)55-38-41(45)37-54-58(48,49)50/h5,7,11,13,15-16,18-19,21-22,41-42,45H,3-4,6,8-10,12,14,17,20,23-40H2,1-2H3,(H,51,52)(H2,48,49,50)/p-3/b7-5-,13-11-,16-15-,19-18-,22-21-/t41-,42+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C44H78O13P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-44(47)57-42(39-53-43(46)35-33-31-29-27-12-10-8-6-4-2)40-56-59(51,52)55-38-41(45)37-54-58(48,49)50/h5,7,11,13,15-16,18-19,21-22,41-42,45H,3-4,6,8-10,12,14,17,20,23-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b7-5-,13-11-,16-15-,19-18-,22-21-/t41-,42+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23][CH2:24][CH2:25][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][CH2:12][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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