| Properties | Image |
|---|
| MNX_ID | MNXM350984 |
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| reference | slm:000450389 |
| formula | C39H64O19P3 |
| global charge | -5 |
| mol weight | 929.844 |
| InChIKey | BRPGNMGIDJIBCT-QHUSGFRLSA-I |
| InChI | InChI=1S/C39H69O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-33(41)55-31(29-53-32(40)27-25-23-21-19-12-10-8-6-4-2)30-54-61(51,52)58-39-35(43)37(56-59(45,46)47)34(42)38(36(39)44)57-60(48,49)50/h5,7,11,13,15-16,18,20,31,34-39,42-44H,3-4,6,8-10,12,14,17,19,21-30H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/p-5/b7-5-,13-11-,16-15-,20-18-/t31-,34-,35-,36-,37-,38+,39-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C39H69O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-33(41)55-31(29-53-32(40)27-25-23-21-19-12-10-8-6-4-2)30-54-61(51,52)58-39-35(43)37(56-59(45,46)47)34(42)38(36(39)44)57-60(48,49)50/h5,7,11,13,15-16,18,20,31,34-39,42-44H,3-4,6,8-10,12,14,17,19,21-30H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/b7-5-,13-11-,16-15-,20-18-/t31-,34-,35-,36-,37-,38+,39-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:20]\[CH2:22][CH2:24][CH2:26][CH2:28][C:33](=[O:41])[O:55][C@H:31]([CH2:29][O:53][C:32]([CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:40])[CH2:30][O:54][P:61]([OH:51])(=[O:52])[O:58][C@@H:39]1[C@H:35]([OH:43])[C@H:37]([O:56][P:59]([OH:45])([OH:46])=[O:47])[C@@H:34]([OH:42])[C@H:38]([O:57][P:60]([OH:48])([OH:49])=[O:50])[C@H:36]1[OH:44] |
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