| Properties | Image |
|---|
| MNX_ID | MNXM192427 |
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| reference | slm:000451996 |
| formula | C44H81O16P2 |
| global charge | -3 |
| mol weight | 928.064 |
| InChIKey | QQBOWBLUXVNFLV-QHFBANGRSA-K |
| InChI | InChI=1S/C44H84O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-37(45)56-34-36(58-38(46)33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2)35-57-62(54,55)60-44-41(49)39(47)40(48)43(42(44)50)59-61(51,52)53/h13,15,36,39-44,47-50H,3-12,14,16-35H2,1-2H3,(H,54,55)(H2,51,52,53)/p-3/b15-13+/t36-,39+,40+,41-,42-,43-,44+/m1/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=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](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C44H84O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-37(45)56-34-36(58-38(46)33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2)35-57-62(54,55)60-44-41(49)39(47)40(48)43(42(44)50)59-61(51,52)53/h13,15,36,39-44,47-50H,3-12,14,16-35H2,1-2H3,(H,54,55)(H2,51,52,53)/b15-13+/t36-,39+,40+,41-,42-,43-,44+/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][CH2:19][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:37](=[O:45])[O:56][CH2:34][C@H:36]([CH2:35][O:57][P:62]([OH:54])(=[O:55])[O:60][C@H:44]1[C@H:41]([OH:49])[C@@H:39]([OH:47])[C@H:40]([OH:48])[C@@H:43]([O:59][P:61]([OH:51])([OH:52])=[O:53])[C@H:42]1[OH:50])[O:58][C:38]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:46] |
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