| Properties | Image |
|---|
| MNX_ID | MNXM325309 |
 |
| reference | slm:000449635 |
| formula | C39H68O19P3 |
| global charge | -5 |
| mol weight | 933.876 |
| InChIKey | UERLOKCTEFPVOI-AAQBINJWSA-I |
| InChI | InChI=1S/C39H73O19P3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(40)53-29-31(55-33(41)28-26-24-22-20-17-14-12-10-8-6-4-2)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/h7,9,13,15,31,34-39,42-44H,3-6,8,10-12,14,16-30H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/p-5/b9-7-,15-13-/t31-,34-,35-,36-,37-,38+,39-/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](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C39H73O19P3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(40)53-29-31(55-33(41)28-26-24-22-20-17-14-12-10-8-6-4-2)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/h7,9,13,15,31,34-39,42-44H,3-6,8,10-12,14,16-30H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/b9-7-,15-13-/t31-,34-,35-,36-,37-,38+,39-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:16][CH2:18][CH2:19][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: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])[O:55][C:33]([CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:41] |
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