| Properties | Image |
|---|
| MNX_ID | MNXM112227 |
 |
| reference | lipidmapsM:LMGL03012991 |
| formula | C54H98O6 |
| global charge | 0 |
| mol weight | 843.372 |
| InChIKey | QSMHETGBWUMNCX-VMWNIWIQSA-N |
| InChI | InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-33-29-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h20-21,23-24,26-27,51H,4-19,22,25,28-50H2,1-3H3/b23-20-,24-21-,27-26-/t51-/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H98O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-33-29-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h20-21,23-24,26-27,51H,4-19,22,25,28-50H2,1-3H3/b23-20-,24-21-,27-26-/t51-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25]/[CH:26]=[CH:27]\[CH2:30][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][C:53](=[O:56])[O:59][CH2:50][C@@H:51]([CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:28]/[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55])[O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:29]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:57] |
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