| Properties | Image |
|---|
| MNX_ID | MNXM111447 |
 |
| reference | lipidmapsM:LMGL03015103 |
| formula | C53H98O6 |
| global charge | 0 |
| mol weight | 831.361 |
| InChIKey | KWZIUBRDEHNCQT-GHPUNEOGSA-N |
| InChI | InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-24-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,50H,4-13,15-16,18-22,24-25,27-49H2,1-3H3/b17-14-,26-23-/t50-/m1/s1 |
| SMILES | CCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-24-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,17,23,26,50H,4-13,15-16,18-22,24-25,27-49H2,1-3H3/b17-14-,26-23-/t50-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:27][CH2:29][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][C:52](=[O:55])[O:58][CH2:49][C@@H:50]([CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:54])[O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:28]/[CH:26]=[CH:23]\[CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:56] |
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