| Properties | Image |
|---|
| MNX_ID | MNXM110999 |
 |
| reference | lipidmapsM:LMGL03014710 |
| formula | C53H96O6 |
| global charge | 0 |
| mol weight | 829.345 |
| InChIKey | JBFOAOFQMVUIPQ-COMKTCQISA-N |
| InChI | InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-25-23-20-17-14-11-8-5-2/h15,18,23,25-27,50H,4-14,16-17,19-22,24,28-49H2,1-3H3/b18-15-,25-23-,27-26-/t50-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-25-23-20-17-14-11-8-5-2/h15,18,23,25-27,50H,4-14,16-17,19-22,24,28-49H2,1-3H3/b18-15-,25-23-,27-26-/t50-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:24]/[CH:26]=[CH: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][CH2:21]/[CH:18]=[CH: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:25]=[CH:23]\[CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56] |
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