| Properties | Image |
|---|
| MNX_ID | MNXM337882 |
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| reference | slm:000449938 |
| formula | C43H78O19P3 |
| global charge | -5 |
| mol weight | 992 |
| InChIKey | BBSBBHKWOCRPBJ-XUQAROBWSA-I |
| InChI | InChI=1S/C43H83O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-14-12-10-8-6-4-2)34-58-65(55,56)62-43-39(47)41(60-63(49,50)51)38(46)42(40(43)48)61-64(52,53)54/h10,12,35,38-43,46-48H,3-9,11,13-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/p-5/b12-10-/t35-,38-,39-,40-,41-,42+,43-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C43H83O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-14-12-10-8-6-4-2)34-58-65(55,56)62-43-39(47)41(60-63(49,50)51)38(46)42(40(43)48)61-64(52,53)54/h10,12,35,38-43,46-48H,3-9,11,13-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b12-10-/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][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:37](=[O:45])[O:59][C@H:35]([CH2:33][O:57][C:36]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:44])[CH2:34][O:58][P:65]([OH:55])(=[O:56])[O:62][C@@H:43]1[C@H:39]([OH:47])[C@H:41]([O:60][P:63]([OH:49])([OH:50])=[O:51])[C@@H:38]([OH:46])[C@H:42]([O:61][P:64]([OH:52])([OH:53])=[O:54])[C@H:40]1[OH:48] |
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