| Properties | Image |
|---|
| MNX_ID | MNXM111720 |
 |
| reference | lipidmapsM:LMGL03012930 |
| formula | C50H90O6 |
| global charge | 0 |
| mol weight | 787.264 |
| InChIKey | ATEPKEIVGFKOTK-PILLLNHCSA-N |
| InChI | InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-28-24-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-27-23-20-17-14-11-8-5-2/h17-18,20-22,25,47H,4-16,19,23-24,26-46H2,1-3H3/b20-17-,21-18-,25-22-/t47-/m1/s1 |
| SMILES | CCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCC)OC(=O)CCCCCCC/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H90O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-28-24-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-27-23-20-17-14-11-8-5-2/h17-18,20-22,25,47H,4-16,19,23-24,26-46H2,1-3H3/b20-17-,21-18-,25-22-/t47-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19]/[CH:22]=[CH:25]\[CH2:26][CH2:29][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][C:49](=[O:52])[O:55][CH2:46][C@@H:47]([CH2:45][O:54][C:48]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:51])[O:56][C:50]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:28][CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:53] |
|