| Properties | Image |
|---|
| MNX_ID | MNXM324622 |
 |
| reference | slm:000462420 |
| formula | C45H81O16P2 |
| global charge | -3 |
| mol weight | 940.075 |
| InChIKey | DBTQBPWTYSQTOF-JYXSNWMUSA-K |
| InChI | InChI=1S/C45H84O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)44(41(49)43(45)51)60-62(52,53)54/h8,10,14,16,37,40-45,48-51H,3-7,9,11-13,15,17-36H2,1-2H3,(H,55,56)(H2,52,53,54)/p-3/b10-8-,16-14-/t37-,40-,41+,42-,43-,44+,45+/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=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)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H84O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)44(41(49)43(45)51)60-62(52,53)54/h8,10,14,16,37,40-45,48-51H,3-7,9,11-13,15,17-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b10-8-,16-14-/t37-,40-,41+,42-,43-,44+,45+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:39](=[O:47])[O:59][C@H:37]([CH2:35][O:57][C:38]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])=[O:46])[CH2:36][O:58][P:63]([OH:55])(=[O:56])[O:61][C@H:45]1[C@H:42]([OH:50])[C@@H:40]([OH:48])[C@H:44]([O:60][P:62]([OH:52])([OH:53])=[O:54])[C@@H:41]([OH:49])[C@H:43]1[OH:51] |
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