| Properties | Image |
|---|
| MNX_ID | MNXM191142 |
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| reference | slm:000458369 |
| formula | C43H77O16P2 |
| global charge | -3 |
| mol weight | 912.021 |
| InChIKey | OAQRNEVBDSWTJH-LQPTXSLCSA-K |
| InChI | InChI=1S/C43H80O16P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)55-33-35(57-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)42(39(47)41(43)49)58-60(50,51)52/h13,15,22,24,35,38-43,46-49H,3-12,14,16-21,23,25-34H2,1-2H3,(H,53,54)(H2,50,51,52)/p-3/b15-13+,24-22-/t35-,38-,39+,40-,41-,42+,43+/m1/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O)OC(=O)CCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C43H80O16P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)55-33-35(57-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)42(39(47)41(43)49)58-60(50,51)52/h13,15,22,24,35,38-43,46-49H,3-12,14,16-21,23,25-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b15-13+,24-22-/t35-,38-,39+,40-,41-,42+,43+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]/[CH2:17][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:36](=[O:44])[O:55][CH2:33][C@H:35]([CH2:34][O:56][P:61]([OH:53])(=[O:54])[O:59][C@H:43]1[C@H:40]([OH:48])[C@@H:38]([OH:46])[C@H:42]([O:58][P:60]([OH:50])([OH:51])=[O:52])[C@@H:39]([OH:47])[C@H:41]1[OH:49])[O:57][C:37]([CH2:32][CH2:30][CH2:28][CH2:26]/[CH:24]=[CH:22]\[CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:45] |
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