| Properties | Image |
|---|
| MNX_ID | MNXM110898 |
 |
| reference | lipidmapsM:LMGL03014613 |
| formula | C52H96O6 |
| global charge | 0 |
| mol weight | 817.334 |
| InChIKey | KGHALXRCWCGIRK-JKXLHJETSA-N |
| InChI | InChI=1S/C52H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15,17-18,20,49H,4-14,16,19,21-48H2,1-3H3/b18-15-,20-17-/t49-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15,17-18,20,49H,4-14,16,19,21-48H2,1-3H3/b18-15-,20-17-/t49-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:31][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][C:51](=[O:54])[O:57][CH2:48][C@@H:49]([CH2:47][O:56][C:50]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:53])[O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:30][CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55] |
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