| Properties | Image |
|---|
| MNX_ID | MNXM212185 |
 |
| reference | slm:000452725 |
| formula | C37H69O16P2 |
| global charge | -3 |
| mol weight | 831.891 |
| InChIKey | ZJIBLTIMHXNLPX-OPWFLQASSA-K |
| InChI | InChI=1S/C37H72O16P2/c1-27(2)21-17-13-9-6-5-7-11-15-19-23-30(38)49-25-29(51-31(39)24-20-16-12-8-10-14-18-22-28(3)4)26-50-55(47,48)53-37-34(42)32(40)33(41)36(35(37)43)52-54(44,45)46/h27-29,32-37,40-43H,5-26H2,1-4H3,(H,47,48)(H2,44,45,46)/p-3/t29-,32+,33+,34-,35-,36-,37+/m1/s1 |
| SMILES | CC(C)CCCCCCCCCCCC(=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](O)[C@H]1O)OC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C37H72O16P2/c1-27(2)21-17-13-9-6-5-7-11-15-19-23-30(38)49-25-29(51-31(39)24-20-16-12-8-10-14-18-22-28(3)4)26-50-55(47,48)53-37-34(42)32(40)33(41)36(35(37)43)52-54(44,45)46/h27-29,32-37,40-43H,5-26H2,1-4H3,(H,47,48)(H2,44,45,46)/t29-,32+,33+,34-,35-,36-,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:27]([CH3:2])[CH2:21][CH2:17][CH2:13][CH2:9][CH2:6][CH2:5][CH2:7][CH2:11][CH2:15][CH2:19][CH2:23][C:30](=[O:38])[O:49][CH2:25][C@H:29]([CH2:26][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:33]([OH:41])[C@@H:36]([O:52][P:54]([OH:44])([OH:45])=[O:46])[C@H:35]1[OH:43])[O:51][C:31]([CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH2:10][CH2:14][CH2:18][CH2:22][CH:28]([CH3:3])[CH3:4])=[O:39] |
|