| Properties | Image |
|---|
| MNX_ID | MNXM227803 |
 |
| reference | slm:000465999 |
| formula | C46H84O19P3 |
| global charge | -5 |
| mol weight | 1034.081 |
| InChIKey | TWRKNUNZXXBNQP-CGZKPMAUSA-I |
| InChI | InChI=1S/C46H89O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-25-28-31-34-40(48)62-38(35-60-39(47)33-30-27-24-21-19-16-17-20-23-26-29-32-37(2)3)36-61-68(58,59)65-44-41(49)42(50)45(63-66(52,53)54)46(43(44)51)64-67(55,56)57/h11-12,37-38,41-46,49-51H,4-10,13-36H2,1-3H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/p-5/b12-11-/t38-,41-,42+,43+,44-,45-,46-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)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 |
MNX internals
| InChI (mnx) | InChI=1/C46H89O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-25-28-31-34-40(48)62-38(35-60-39(47)33-30-27-24-21-19-16-17-20-23-26-29-32-37(2)3)36-61-68(58,59)65-44-41(49)42(50)45(63-66(52,53)54)46(43(44)51)64-67(55,56)57/h11-12,37-38,41-46,49-51H,4-10,13-36H2,1-3H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/b12-11-/t38-,41-,42+,43+,44-,45-,46-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:18][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][C:40](=[O:48])[O:62][C@H:38]([CH2:35][O:60][C:39]([CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:19][CH2:16][CH2:17][CH2:20][CH2:23][CH2:26][CH2:29][CH2:32][CH:37]([CH3:2])[CH3:3])=[O:47])[CH2:36][O:61][P:68]([OH:58])(=[O:59])[O:65][C@@H:44]1[C@H:41]([OH:49])[C@H:42]([OH:50])[C@@H:45]([O:63][P:66]([OH:52])([OH:53])=[O:54])[C@H:46]([O:64][P:67]([OH:55])([OH:56])=[O:57])[C@H:43]1[OH:51] |
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