| Properties | Image |
|---|
| MNX_ID | MNXM198463 |
 |
| reference | slm:000452311 |
| formula | C50H89O16P2 |
| global charge | -3 |
| mol weight | 1008.194 |
| InChIKey | CPSXPUQFWRDCSY-XSPWENDPSA-K |
| InChI | InChI=1S/C50H92O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-44(52)64-42(41-63-68(60,61)66-50-47(55)45(53)46(54)49(48(50)56)65-67(57,58)59)40-62-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,42,45-50,53-56H,3-5,7,9-11,13,15-17,19,21-41H2,1-2H3,(H,60,61)(H2,57,58,59)/p-3/b8-6-,14-12-,20-18-/t42-,45+,46+,47-,48-,49-,50+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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)CCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H92O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-44(52)64-42(41-63-68(60,61)66-50-47(55)45(53)46(54)49(48(50)56)65-67(57,58)59)40-62-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,42,45-50,53-56H,3-5,7,9-11,13,15-17,19,21-41H2,1-2H3,(H,60,61)(H2,57,58,59)/b8-6-,14-12-,20-18-/t42-,45+,46+,47-,48-,49-,50+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:44](=[O:52])[O:64][C@H:42]([CH2:40][O:62][C:43]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:51])[CH2:41][O:63][P:68]([OH:60])(=[O:61])[O:66][C@H:50]1[C@H:47]([OH:55])[C@@H:45]([OH:53])[C@H:46]([OH:54])[C@@H:49]([O:65][P:67]([OH:57])([OH:58])=[O:59])[C@H:48]1[OH:56] |
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