| Properties | Image |
|---|
| MNX_ID | MNXM324558 |
 |
| reference | slm:000462419 |
| formula | C37H65O16P2 |
| global charge | -3 |
| mol weight | 827.859 |
| InChIKey | XYJIMLHIBMBLLL-SZCSRMBSSA-K |
| InChI | InChI=1S/C37H68O16P2/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(38)49-27-29(51-31(39)26-24-22-20-17-12-10-8-6-4-2)28-50-55(47,48)53-37-34(42)32(40)36(33(41)35(37)43)52-54(44,45)46/h7,9,13-14,29,32-37,40-43H,3-6,8,10-12,15-28H2,1-2H3,(H,47,48)(H2,44,45,46)/p-3/b9-7-,14-13-/t29-,32-,33+,34-,35-,36+,37+/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](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C37H68O16P2/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(38)49-27-29(51-31(39)26-24-22-20-17-12-10-8-6-4-2)28-50-55(47,48)53-37-34(42)32(40)36(33(41)35(37)43)52-54(44,45)46/h7,9,13-14,29,32-37,40-43H,3-6,8,10-12,15-28H2,1-2H3,(H,47,48)(H2,44,45,46)/b9-7-,14-13-/t29-,32-,33+,34-,35-,36+,37+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:14]\[CH2:15][CH2:16][CH2:18][CH2:19][CH2:21][CH2:23][CH2:25][C:30](=[O:38])[O:49][CH2:27][C@H:29]([CH2:28][O:50][P:55]([OH:47])(=[O:48])[O:53][C@H:37]1[C@H:34]([OH:42])[C@@H:32]([OH:40])[C@H:36]([O:52][P:54]([OH:44])([OH:45])=[O:46])[C@@H:33]([OH:41])[C@H:35]1[OH:43])[O:51][C:31]([CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:39] |
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