| Properties | Image |
|---|
| MNX_ID | MNXM361964 |
 |
| reference | slm:000437842 |
| formula | C50H87O16P2 |
| global charge | -3 |
| mol weight | 1006.178 |
| InChIKey | FFTYWFUNHWBGPJ-GTCJYZEZSA-K |
| InChI | InChI=1S/C50H90O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-44(52)64-42(40-62-43(51)38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2)41-63-68(60,61)66-50-47(55)45(53)46(54)49(48(50)56)65-67(57,58)59/h11,13,17,19,21-22,24-25,42,45-50,53-56H,3-10,12,14-16,18,20,23,26-41H2,1-2H3,(H,60,61)(H2,57,58,59)/p-3/b13-11-,19-17-,22-21-,25-24-/t42-,45-,46-,47-,48-,49+,50-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C50H90O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-44(52)64-42(40-62-43(51)38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2)41-63-68(60,61)66-50-47(55)45(53)46(54)49(48(50)56)65-67(57,58)59/h11,13,17,19,21-22,24-25,42,45-50,53-56H,3-10,12,14-16,18,20,23,26-41H2,1-2H3,(H,60,61)(H2,57,58,59)/b13-11-,19-17-,22-21-,25-24-/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]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH: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][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][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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