| Properties | Image |
|---|
| MNX_ID | MNXM317929 |
 |
| reference | slm:000468665 |
| formula | C39H64O19P3 |
| global charge | -5 |
| mol weight | 929.844 |
| InChIKey | RUZLZPSUWJTVBA-QCYKZAJGSA-I |
| InChI | InChI=1S/C39H69O19P3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-27-32(40)53-29-31(55-33(41)28-25-6-4-2)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/h9-10,12-13,15-16,18-19,31,34-39,42-44H,3-8,11,14,17,20-30H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/p-5/b10-9-,13-12-,16-15-,19-18-/t31-,34-,35+,36+,37-,38-,39-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/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](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C39H69O19P3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-27-32(40)53-29-31(55-33(41)28-25-6-4-2)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/h9-10,12-13,15-16,18-19,31,34-39,42-44H,3-8,11,14,17,20-30H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/b10-9-,13-12-,16-15-,19-18-/t31-,34-,35+,36+,37-,38-,39-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][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][CH2:25][CH2:6][CH2:4][CH3:2])=[O:41] |
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