| Properties | Image |
|---|
| MNX_ID | MNXM192231 |
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| reference | slm:000426399 |
| formula | C39H70O19P3 |
| global charge | -5 |
| mol weight | 935.892 |
| InChIKey | UGSSUPNRERDAOY-ROYUUTEQSA-I |
| InChI | InChI=1S/C39H75O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-20-21-23-25-27-32(40)53-29-31(55-33(41)28-26-24-22-19-12-10-8-6-4-2)30-54-61(51,52)58-37-34(42)35(43)38(56-59(45,46)47)39(36(37)44)57-60(48,49)50/h13-14,31,34-39,42-44H,3-12,15-30H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/p-5/b14-13+/t31-,34-,35-,36+,37+,38+,39+/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](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C39H75O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-20-21-23-25-27-32(40)53-29-31(55-33(41)28-26-24-22-19-12-10-8-6-4-2)30-54-61(51,52)58-37-34(42)35(43)38(56-59(45,46)47)39(36(37)44)57-60(48,49)50/h13-14,31,34-39,42-44H,3-12,15-30H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/b14-13+/t31-,34-,35-,36+,37+,38+,39+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:14]/[CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][C:32](=[O:40])[O:53][CH2:29][C@H:31]([CH2:30][O:54][P:61]([OH:51])(=[O:52])[O:58][C@H:37]1[C@H:34]([OH:42])[C@@H:35]([OH:43])[C@H:38]([O:56][P:59]([OH:45])([OH:46])=[O:47])[C@@H:39]([O:57][P:60]([OH:48])([OH:49])=[O:50])[C@H:36]1[OH:44])[O:55][C:33]([CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:41] |
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